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

Systemtic Name: methyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-10-14(17(21)22-2)15(11-5-4-8-18-9-11)16-12(19-10)6-3-7-13(16)20/h4-6,8-9,15-16,19H,3,7H2,1-2H3/p+1