[4-[(7-chloranylquinolin-4-yl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxidanidyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-[(7-chloranylquinolin-4-yl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxidanidyl-piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxido-piperazin-4-ium-1-yl]methanone CAS Name: [4-[(7-chloro-4-quinolinyl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxido-1-piperazin-4-iumyl]methanone IUPAC Name: [4-[(7-chloroquinolin-4-yl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxidopiperazin-4-ium-1-yl]methanone Traditional Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-[4-(3-methoxyphenyl)-4-oxido-piperazin-4-ium-1-yl]methanone Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)[N+]2(CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[N+]2(CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)[O-]

InChI

InChI=1S/C27H25ClN4O3/c1-35-23-4-2-3-22(18-23)32(34)15-13-31(14-16-32)27(33)19-5-8-21(9-6-19)30-25-11-12-29-26-17-20(28)7-10-24(25)26/h2-12,17-18H,13-16H2,1H3,(H,29,30)