N-[1-(1-methoxy-2H-pyridin-1-ium-1-yl)ethenyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N-[1-(1-methoxy-2H-pyridin-1-ium-1-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N-[1-(1-methoxy-2H-pyridin-1-ium-1-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N-[1-(1-methoxy-2H-pyridin-1-ium-1-yl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N-[1-(1-methoxy-2H-pyridin-1-ium-1-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: 1-(1-methoxy-2H-pyridin-1-ium-1-yl)vinyl-phenyl-amine tosylate Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1(CC=CC=C1)C(=C)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1(CC=CC=C1)C(=C)NC2=CC=CC=C2

InChI

InChI=1S/C14H17N2O.C7H8O3S/c1-13(15-14-9-5-3-6-10-14)16(17-2)11-7-4-8-12-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,15H,1,12H2,2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1