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

Systemtic Name: propan-2-yl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-11(2)24-19(23)16-12(3)21-14-7-4-8-15(22)18(14)17(16)13-6-5-9-20-10-13/h5-7,9-11,17-18,21H,4,8H2,1-3H3/p+1