4-methylbenzenesulfonate; 1-methyl-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-[(Z)-(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide tosylate Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O.C7H8O3S/c1-12-8-14(10-16(2,3)9-12)17-18-15(20)13-6-5-7-19(4)11-13;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,11H,9-10H2,1-4H3;2-5H,1H3,(H,8,9,10)/b17-14+;