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

Systemtic Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxido-1-piperidin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(3-fluorophenyl)ethyl]-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C30H30FN3O2 MolecularWeight: 483.576503

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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(CCCCC5)[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(CCCCC5)[O-]

InChI

InChI=1S/C30H30FN3O2/c1-21(23-13-10-14-24(31)19-23)32-30(35)28-25-15-6-7-16-27(25)33-29(22-11-4-2-5-12-22)26(28)20-34(36)17-8-3-9-18-34/h2,4-7,10-16,19,21H,3,8-9,17-18,20H2,1H3,(H,32,35)