3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Openeye Name: 3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide CAS Name: 3-[(4-methyl-1-oxido-1-piperazin-1-iumyl)methyl]-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Traditional Name: 3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)cinchoninamide Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCN(CC5)C)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCN(CC5)C)[O-]

InChI

InChI=1S/C31H34N4O2/c1-3-27(23-12-6-4-7-13-23)33-31(36)29-25-16-10-11-17-28(25)32-30(24-14-8-5-9-15-24)26(29)22-35(37)20-18-34(2)19-21-35/h4-17,27H,3,18-22H2,1-2H3,(H,33,36)