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

Systemtic Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-4-[(E)-2-phenylethenyl]pyridin-1-ium-2-amine Openeye Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-4-[(E)-styryl]pyridin-1-ium-2-amine CAS Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-4-[(E)-2-phenylethenyl]-2-pyridin-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-4-[(E)-2-phenylethenyl]pyridin-1-ium-2-amine Traditional Name: dimethyl-[1-methyl-4-[(E)-styryl]pyridin-1-ium-2-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)C=CC2=CC=CC=C2)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2.C7H8O3S/c1-17(2)16-13-15(11-12-18(16)3)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+;