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

Systemtic Name: 3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-[(1-oxido-1-pyrrolidin-1-iumyl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C30H31N3O2 MolecularWeight: 465.58604

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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(CCCC5)[O-]

Isomeric SMILES

CC[C@@H](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/C30H31N3O2/c1-2-26(22-13-5-3-6-14-22)32-30(34)28-24-17-9-10-18-27(24)31-29(23-15-7-4-8-16-23)25(28)21-33(35)19-11-12-20-33/h3-10,13-18,26H,2,11-12,19-21H2,1H3,(H,32,34)/t26-/m0/s1