[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [7-chloro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [7-chloro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [7-chloro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [7-chloro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H29ClN4O2+2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=N4

InChI

InChI=1S/C23H27ClN4O2/c24-20-6-5-18-14-19(16-25-7-3-9-27-10-12-30-13-11-27)23(29)28(22(18)15-20)17-21-4-1-2-8-26-21/h1-2,4-6,8,14-15,25H,3,7,9-13,16-17H2/p+2