cyclohexyl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 2-methylene-5-oxo-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(3-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-methylidene-5-oxo-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=C[NH+]=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=C[NH+]=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H26N2O3/c1-14-19(22(26)27-16-8-3-2-4-9-16)20(15-7-6-12-23-13-15)21-17(24-14)10-5-11-18(21)25/h6-7,12-13,16,19-20,24H,1-5,8-11H2/p+1