[4-[(6-methoxyquinolin-4-yl)amino]phenyl]-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(6-methoxyquinolin-4-yl)amino]phenyl]-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone Openeye Name: [4-[(6-methoxy-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone CAS Name: [4-[(6-methoxy-4-quinolinyl)amino]phenyl]-(4-methyl-4-oxido-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(6-methoxyquinolin-4-yl)amino]phenyl]-(4-methyl-4-oxidopiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(6-methoxy-4-quinolyl)amino]phenyl]-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-26(28)13-11-25(12-14-26)22(27)16-3-5-17(6-4-16)24-21-9-10-23-20-8-7-18(29-2)15-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,23,24)