(4-butyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]methanone

Systemtic Name: (4-butyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]methanone Openeye Name: (4-butyl-4-oxido-piperazin-4-ium-1-yl)-[4-[(7-chloro-4-quinolyl)amino]phenyl]methanone CAS Name: (4-butyl-4-oxido-1-piperazin-4-iumyl)-[4-[(7-chloro-4-quinolinyl)amino]phenyl]methanone IUPAC Name: (4-butyl-4-oxidopiperazin-4-ium-1-yl)-[4-[(7-chloroquinolin-4-yl)amino]phenyl]methanone Traditional Name: (4-butyl-4-oxido-piperazin-4-ium-1-yl)-[4-[(7-chloro-4-quinolyl)amino]phenyl]methanone Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)[O-]

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)[O-]

InChI

InChI=1S/C24H27ClN4O2/c1-2-3-14-29(31)15-12-28(13-16-29)24(30)18-4-7-20(8-5-18)27-22-10-11-26-23-17-19(25)6-9-21(22)23/h4-11,17H,2-3,12-16H2,1H3,(H,26,27)