(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-(quinolin-4-ylamino)phenyl]methanone

Systemtic Name: (4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-[4-(quinolin-4-ylamino)phenyl]methanone Openeye Name: (4-methyl-4-oxido-piperazin-4-ium-1-yl)-[4-(4-quinolylamino)phenyl]methanone CAS Name: (4-methyl-4-oxido-1-piperazin-4-iumyl)-[4-(4-quinolinylamino)phenyl]methanone IUPAC Name: (4-methyl-4-oxidopiperazin-4-ium-1-yl)-[4-(quinolin-4-ylamino)phenyl]methanone Traditional Name: (4-methyl-4-oxido-piperazin-4-ium-1-yl)-[4-(4-quinolylamino)phenyl]methanone Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=CC=NC4=CC=CC=C43)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=CC=NC4=CC=CC=C43)[O-]

InChI

InChI=1S/C21H22N4O2/c1-25(27)14-12-24(13-15-25)21(26)16-6-8-17(9-7-16)23-20-10-11-22-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,22,23)