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

Systemtic Name: 3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Openeye Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide CAS Name: 3-[(1-oxido-1-piperidin-1-iumyl)methyl]-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Traditional Name: 3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-N-(1-phenylpropyl)cinchoninamide Formula: C31H33N3O2 MolecularWeight: 479.61262

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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(CCCCC5)[O-]

Isomeric SMILES

CCC(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/C31H33N3O2/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34(36)20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)