4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-tetradecylideneamino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-tetradecylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-tetradecylideneamino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-tetradecylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-tetradecylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(E)-tetradecylideneamino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C28H44N3O4S+ MolecularWeight: 518.73166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-23-21(25)20-16-15-18-24(2)19-20;1-6-2-4-7(5-3-6)11(8,9)10/h15-19H,3-14H2,1-2H3;2-5H,1H3,(H,8,9,10)/p+1/b22-17+;