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

Systemtic Name: [4-[(7-chloranylquinolin-4-yl)-ethyl-amino]phenyl]-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone Openeye Name: [4-[(7-chloro-4-quinolyl)-ethyl-amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone CAS Name: [4-[(7-chloro-4-quinolinyl)-ethylamino]phenyl]-(4-methyl-4-oxido-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(7-chloroquinolin-4-yl)-ethylamino]phenyl]-(4-methyl-4-oxidopiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(7-chloro-4-quinolyl)-ethyl-amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)N2CC[N+](CC2)(C)[O-])C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)N2CC[N+](CC2)(C)[O-])C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C23H25ClN4O2/c1-3-27(22-10-11-25-21-16-18(24)6-9-20(21)22)19-7-4-17(5-8-19)23(29)26-12-14-28(2,30)15-13-26/h4-11,16H,3,12-15H2,1-2H3