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

Systemtic Name: N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: dimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]amine tosylate Formula: C27H28N2O3S MolecularWeight: 460.58782

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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=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2.C7H8O3S/c1-21(2)18-12-8-16(9-13-18)10-14-19-15-11-17-6-4-5-7-20(17)22(19)3;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