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

CAS Registry Number®

85187-88-8

CAS Name

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

Molecular Formula

C22H26ClN2.1/2O4S

Cite this Page

3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, sulfate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85187-88-8 (retrieved 2024-11-25) (CAS RN: 85187-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H26ClN2.H2O4S/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(2,3)4/h5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2

InChIKey

InChIKey=HGWJXALLBZWCQZ-UHFFFAOYSA-L

SMILES

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

Canonical SMILES

O=S(=O)([O-])[O-].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-, sulfate (2:1)

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