4-methylbenzenesulfonate; 1-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-isopropylphenyl)methyleneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-isopropylbenzylidene)amino]-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O.C7H8O3S/c1-13(2)15-8-6-14(7-9-15)11-18-19-17(21)16-5-4-10-20(3)12-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)