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

Systemtic Name: (4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-[(7-methylquinolin-4-yl)amino]phenyl]methanone Openeye Name: (4-methyl-4-oxido-piperazin-4-ium-1-yl)-[4-[(7-methyl-4-quinolyl)amino]phenyl]methanone CAS Name: (4-methyl-4-oxido-1-piperazin-4-iumyl)-[4-[(7-methyl-4-quinolinyl)amino]phenyl]methanone IUPAC Name: (4-methyl-4-oxidopiperazin-4-ium-1-yl)-[4-[(7-methylquinolin-4-yl)amino]phenyl]methanone Traditional Name: (4-methyl-4-oxido-piperazin-4-ium-1-yl)-[4-[(7-methyl-4-quinolyl)amino]phenyl]methanone Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC=CC(=C2C=C1)NC3=CC=C(C=C3)C(=O)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC1=CC2=NC=CC(=C2C=C1)NC3=CC=C(C=C3)C(=O)N4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C22H24N4O2/c1-16-3-8-19-20(9-10-23-21(19)15-16)24-18-6-4-17(5-7-18)22(27)25-11-13-26(2,28)14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,24)