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

Systemtic Name: [4-[(7-chloranylquinolin-4-yl)amino]phenyl]-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone Openeye Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone CAS Name: [4-[(7-chloro-4-quinolinyl)amino]phenyl]-(4-methyl-4-oxido-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(7-chloroquinolin-4-yl)amino]phenyl]-(4-methyl-4-oxidopiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-26(28)12-10-25(11-13-26)21(27)15-2-5-17(6-3-15)24-19-8-9-23-20-14-16(22)4-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,23,24)