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

Systemtic Name: cyclopentyl 2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-phenyl-4-(2-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-methyl-5-oxo-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-phenyl-4-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)OC5CCCC5

InChI

InChI=1S/C27H28N2O3/c1-17-24(27(31)32-20-11-5-6-12-20)26(21-13-7-8-14-28-21)25-22(29-17)15-19(16-23(25)30)18-9-3-2-4-10-18/h2-4,7-10,13-15,19-20,25-26,29H,5-6,11-12,16H2,1H3/p+1