(E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine; 4-methylbenzenesulfonate

Systemtic Name: (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine; 4-methylbenzenesulfonate Openeye Name: (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine; 4-methylbenzenesulfonate CAS Name: (E)-N,N-dimethyl-2-phenyl-1-(1-pyridin-1-iumyl)ethenamine; 4-methylbenzenesulfonate IUPAC Name: (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine; 4-methylbenzenesulfonate Traditional Name: dimethyl-[(E)-2-phenyl-1-pyridin-1-ium-1-yl-vinyl]amine tosylate Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C(=CC1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)/C(=C\C1=CC=CC=C1)/[N+]2=CC=CC=C2

InChI

InChI=1S/C15H17N2.C7H8O3S/c1-16(2)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b15-13+;