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

Systemtic Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: dimethyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine tosylate Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H19N2.C7H8O3S/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1