cyclohexyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl 2-methyl-5-oxo-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(3-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-methyl-5-oxo-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=C[NH+]=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)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/h6-7,10,12-13,16,20-21,24H,2-5,8-9,11H2,1H3/p+1