4-methylbenzenesulfonate; 1-methyl-N-[1-(4-pentylphenyl)ethylideneamino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-[1-(4-pentylphenyl)ethylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-[1-(4-pentylphenyl)ethylideneamino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-[1-(4-pentylphenyl)ethylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-[1-(4-pentylphenyl)ethylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[1-(4-amylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=NNC(=O)C2=C[N+](=CC=C2)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=NNC(=O)C2=C[N+](=CC=C2)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H25N3O.C7H8O3S/c1-4-5-6-8-17-10-12-18(13-11-17)16(2)21-22-20(24)19-9-7-14-23(3)15-19;1-6-2-4-7(5-3-6)11(8,9)10/h7,9-15H,4-6,8H2,1-3H3;2-5H,1H3,(H,8,9,10)