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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

InChI

InChI=1S/C24H26ClN3O3/c1-2-31-24(30)18-6-5-11-27(14-18)15-19-12-17-8-9-20(25)13-22(17)28(23(19)29)16-21-7-3-4-10-26-21/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3/p+1/t18-/m0/s1