3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate (1:1)

CAS Registry Number®

85204-55-3

CAS Name

3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate (1:1)

Molecular Formula

C22H26ClN2.CH3O4S

Cite this Page

3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85204-55-3 (retrieved 2024-11-24) (CAS RN: 85204-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=BRCNZYZVEHXRLP-UHFFFAOYSA-M

SMILES

CC1(C)C=2C([N+](C)=C1C=CC3=CC=C(N(CCCl)C)C=C3)=CC=CC2.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=S(=O)([O-])OC.ClCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C

Other Names for this Substance

  • 3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate (1:1)
  • 3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate

CAS INSIGHTSTM
Hourglass and a clock