(3S)-1-[[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[7-chloro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[7-chloro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[7-chloro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[7-chloro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C26H32ClN4O2+ MolecularWeight: 468.01088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O2/c1-3-30(4-2)25(32)20-8-7-13-29(16-20)17-21-14-19-10-11-22(27)15-24(19)31(26(21)33)18-23-9-5-6-12-28-23/h5-6,9-12,14-15,20H,3-4,7-8,13,16-18H2,1-2H3/p+1/t20-/m0/s1