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

Systemtic Name: [4-[(7-chloranylquinolin-4-yl)amino]phenyl]-(4-oxidanidyl-4-phenyl-piperazin-4-ium-1-yl)methanone Openeye Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-(4-oxido-4-phenyl-piperazin-4-ium-1-yl)methanone CAS Name: [4-[(7-chloro-4-quinolinyl)amino]phenyl]-(4-oxido-4-phenyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(7-chloroquinolin-4-yl)amino]phenyl]-(4-oxido-4-phenylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-(4-oxido-4-phenyl-piperazin-4-ium-1-yl)methanone Formula: C26H23ClN4O2 MolecularWeight: 458.93942

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)(C5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+](CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)(C5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H23ClN4O2/c27-20-8-11-23-24(12-13-28-25(23)18-20)29-21-9-6-19(7-10-21)26(32)30-14-16-31(33,17-15-30)22-4-2-1-3-5-22/h1-13,18H,14-17H2,(H,28,29)