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

Systemtic Name: N-(2-cyano-1-phenyl-ethyl)-3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyano-1-phenyl-ethyl)-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyano-1-phenylethyl)-3-[(1-oxido-1-piperidin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-1-phenylethyl)-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyano-1-phenyl-ethyl)-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(CC#N)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(CC#N)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H30N4O2/c32-19-18-27(23-12-4-1-5-13-23)34-31(36)29-25-16-8-9-17-28(25)33-30(24-14-6-2-7-15-24)26(29)22-35(37)20-10-3-11-21-35/h1-2,4-9,12-17,27H,3,10-11,18,20-22H2,(H,34,36)