4-methylbenzenesulfonate; 1-methyl-N-(phenethylideneamino)pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(phenethylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(phenethylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(phenethylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(phenethylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(phenethylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CCC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O.C7H8O3S/c1-18-11-5-8-14(12-18)15(19)17-16-10-9-13-6-3-2-4-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,10-12H,9H2,1H3;2-5H,1H3,(H,8,9,10)