N,N-dimethyl-4-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-1-enyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N,N-dimethyl-4-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-1-enyl]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-dimethyl-4-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-1-enyl]aniline; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-4-[(E)-3-(1-methyl-2-quinolin-1-iumyl)prop-1-enyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethyl-4-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-1-enyl]aniline; 4-methylbenzenesulfonate Traditional Name: dimethyl-[4-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-1-enyl]phenyl]amine tosylate Formula: C28H30N2O3S MolecularWeight: 474.6144

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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)CC=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=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H23N2.C7H8O3S/c1-22(2)19-14-11-17(12-15-19)7-6-9-20-16-13-18-8-4-5-10-21(18)23(20)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10-16H,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b7-6+;