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

Systemtic Name: 2-(3-chlorophenyl)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)-3-methyl-cinchoninamide Formula: C29H29ClN3O+ MolecularWeight: 471.01306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O/c1-20-27(25-12-5-6-13-26(25)32-28(20)22-10-7-11-23(30)18-22)29(34)31-24-14-16-33(17-15-24)19-21-8-3-2-4-9-21/h2-13,18,24H,14-17,19H2,1H3,(H,31,34)/p+1