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

Systemtic Name: 3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 3-[(4-methyl-1-oxido-1-piperazin-1-iumyl)methyl]-2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)cinchoninamide Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C30H32N4O2/c1-22(23-11-5-3-6-12-23)31-30(35)28-25-15-9-10-16-27(25)32-29(24-13-7-4-8-14-24)26(28)21-34(36)19-17-33(2)18-20-34/h3-16,22H,17-21H2,1-2H3,(H,31,35)