N,N-dimethyl-1-[1-[(E)-2-phenylethenyl]pyridin-1-ium-2-yl]methanamine; 4-methylbenzenesulfonate

Systemtic Name: N,N-dimethyl-1-[1-[(E)-2-phenylethenyl]pyridin-1-ium-2-yl]methanamine; 4-methylbenzenesulfonate Openeye Name: N,N-dimethyl-1-[1-[(E)-styryl]pyridin-1-ium-2-yl]methanamine; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-1-[1-[(E)-2-phenylethenyl]-2-pyridin-1-iumyl]methanamine; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethyl-1-[1-[(E)-2-phenylethenyl]pyridin-1-ium-2-yl]methanamine; 4-methylbenzenesulfonate Traditional Name: dimethyl-[[1-[(E)-styryl]pyridin-1-ium-2-yl]methyl]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-].CN(C)CC1=CC=CC=[N+]1C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2.C7H8O3S/c1-17(2)14-16-10-6-7-12-18(16)13-11-15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b13-11+;