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

Systemtic Name: N-(cinnamylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-(cinnamylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-(cinnamylideneamino)-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-(cinnamylideneamino)-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-(cinnamylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C23H23N3O4S MolecularWeight: 437.51142

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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=CC=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CC=CC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O.C7H8O3S/c1-19-12-6-10-15(13-19)16(20)18-17-11-5-9-14-7-3-2-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3;2-5H,1H3,(H,8,9,10)