(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-[[5-(2-methylpropoxy)quinolin-4-yl]amino]phenyl]methanone

Systemtic Name: (4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-[[5-(2-methylpropoxy)quinolin-4-yl]amino]phenyl]methanone Openeye Name: [4-[(5-isobutoxy-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-4-oxido-1-piperazin-4-iumyl)-[4-[[5-(2-methylpropoxy)-4-quinolinyl]amino]phenyl]methanone IUPAC Name: (4-methyl-4-oxidopiperazin-4-ium-1-yl)-[4-[[5-(2-methylpropoxy)quinolin-4-yl]amino]phenyl]methanone Traditional Name: [4-[(5-isobutoxy-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC2=NC=CC(=C21)NC3=CC=C(C=C3)C(=O)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC2=NC=CC(=C21)NC3=CC=C(C=C3)C(=O)N4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C25H30N4O3/c1-18(2)17-32-23-6-4-5-21-24(23)22(11-12-26-21)27-20-9-7-19(8-10-20)25(30)28-13-15-29(3,31)16-14-28/h4-12,18H,13-17H2,1-3H3,(H,26,27)