4-methylbenzenesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine

Systemtic Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine Openeye Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-2-[(E)-styryl]pyridin-1-ium-4-amine CAS Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]-4-pyridin-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-methyl-2-[(E)-styryl]pyridin-1-ium-4-yl]amine tosylate Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2.C7H8O3S/c1-17(2)15-11-12-18(3)16(13-15)10-9-14-7-5-4-6-8-14;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/b10-9+;