4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]-2-methylsulfanyl-aniline

Systemtic Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]-2-methylsulfanyl-aniline Openeye Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]-2-methylsulfanyl-aniline CAS Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]-2-(methylthio)aniline IUPAC Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]-2-methylsulfanylaniline Traditional Name: methyl-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]-[2-(methylthio)phenyl]amine tosylate Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC2=CC=CC=C21)C=CN(C)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC2=CC=CC=C21)/C=C/N(C)C3=CC=CC=C3SC

InChI

InChI=1S/C20H21N2S.C7H8O3S/c1-21(19-10-6-7-11-20(19)23-3)15-14-17-13-12-16-8-4-5-9-18(16)22(17)2;1-6-2-4-7(5-3-6)11(8,9)10/h4-15H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1