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

Systemtic Name: 3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 3-[(1-oxido-1-piperidin-1-iumyl)methyl]-2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylethyl)cinchoninamide Formula: C30H31N3O2 MolecularWeight: 465.58604

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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(CCCCC5)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCCC5)[O-]

InChI

InChI=1S/C30H31N3O2/c1-22(23-13-5-2-6-14-23)31-30(34)28-25-17-9-10-18-27(25)32-29(24-15-7-3-8-16-24)26(28)21-33(35)19-11-4-12-20-33/h2-3,5-10,13-18,22H,4,11-12,19-21H2,1H3,(H,31,34)