2-Hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosen-1-yl]amino]propyl]-3-sulfo-1-propanaminium inner salt

CAS Registry Number®

164118-71-2

CAS Name

2-Hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosen-1-yl]amino]propyl]-3-sulfo-1-propanaminium inner salt

Molecular Formula

C30H60N2O5S

Cite this Page

2-Hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosen-1-yl]amino]propyl]-3-sulfo-1-propanaminium inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=164118-71-2 (retrieved 2024-11-25) (CAS RN: 164118-71-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C30H60N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(34)31-25-23-26-32(2,3)27-29(33)28-38(35,36)37/h11-12,29,33H,4-10,13-28H2,1-3H3,(H-,31,34,35,36,37)/b12-11-

InChIKey

InChIKey=ONYHQNURMVNRJZ-QXMHVHEDNA-N

SMILES

C(CCNC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)[N+](CC(CS(=O)(=O)[O-])O)(C)C

Canonical SMILES

O=C(NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])CCCCCCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosen-1-yl]amino]propyl]-3-sulfo-, inner salt
  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxo-13-docosenyl)amino]propyl]-3-sulfo-, inner salt, (Z)-
  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosenyl]amino]propyl]-3-sulfo-, inner salt
  • 2-Hydroxy-N,N-dimethyl-N-[3-[[(13Z)-1-oxo-13-docosen-1-yl]amino]propyl]-3-sulfo-1-propanaminium inner salt
  • Crosultaine E 30

View All

Deleted or Replaced CAS Registry Numbers

250140-88-6, 2555038-47-4

CAS INSIGHTSTM
Hourglass and a clock