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

84455-53-8

CAS Name

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

Molecular Formula

C₂₁H₂₅N₂.HO₄S

Other Names and Identifiers

InChI

InChI=1S/C21H25N2.H2O4S/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-5(2,3)4/h6-15H,1-5H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

InChIKey=HGQOFMAEZUBFMU-UHFFFAOYSA-M

SMILES

C[N+]=1C=2C(C(C)(C)C1C=CC3=CC=C(N(C)C)C=C3)=CC=CC2.S(=O)(=O)([O-])O

Canonical SMILES

O=S(=O)([O-])O.C=1C=CC2=C(C1)[N+](=C(C=CC3=CC=C(C=C3)N(C)C)C2(C)C)C

Other Names for this Substance