4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C=NNC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC/C=C(\C)/C=N/NC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17N3O.C7H8O3S/c1-4-6-11(2)9-14-15-13(17)12-7-5-8-16(3)10-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/p+1/b11-6+,14-9+;