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

Systemtic Name: 3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 3-[(1-oxido-1-pyrrolidin-1-iumyl)methyl]-2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)cinchoninamide Formula: C29H29N3O2 MolecularWeight: 451.55946

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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(CCCC5)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCC5)[O-]

InChI

InChI=1S/C29H29N3O2/c1-21(22-12-4-2-5-13-22)30-29(33)27-24-16-8-9-17-26(24)31-28(23-14-6-3-7-15-23)25(27)20-32(34)18-10-11-19-32/h2-9,12-17,21H,10-11,18-20H2,1H3,(H,30,33)