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

Systemtic Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-methyl-1-oxido-1-piperazin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(3-fluorophenyl)ethyl]-3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C30H31FN4O2 MolecularWeight: 498.591143

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H31FN4O2/c1-21(23-11-8-12-24(31)19-23)32-30(36)28-25-13-6-7-14-27(25)33-29(22-9-4-3-5-10-22)26(28)20-35(37)17-15-34(2)16-18-35/h3-14,19,21H,15-18,20H2,1-2H3,(H,32,36)