2-(3-chlorophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)quinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)cinchoninamide Formula: C28H27ClN3O+ MolecularWeight: 456.98648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O/c29-22-10-6-9-21(17-22)27-18-25(24-11-4-5-12-26(24)31-27)28(33)30-23-13-15-32(16-14-23)19-20-7-2-1-3-8-20/h1-12,17-18,23H,13-16,19H2,(H,30,33)/p+1