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

Systemtic Name: propan-2-yl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-phenyl-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-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C25H26N2O3/c1-15(2)30-25(29)22-16(3)27-20-12-19(17-8-5-4-6-9-17)13-21(28)24(20)23(22)18-10-7-11-26-14-18/h4-12,14-15,19,23-24,27H,13H2,1-3H3/p+1