ethyl 1-[[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[7-chloro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[7-chloro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[7-chloro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[7-chloro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H27ClN3O3+ MolecularWeight: 440.94248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

InChI

InChI=1S/C24H26ClN3O3/c1-2-31-24(30)17-8-11-27(12-9-17)15-19-13-18-6-7-20(25)14-22(18)28(23(19)29)16-21-5-3-4-10-26-21/h3-7,10,13-14,17H,2,8-9,11-12,15-16H2,1H3/p+1