2-(2,5-dimethylphenyl)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethylphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethylphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethylphenyl)-3-methyl-cinchoninamide Formula: C31H34N3O+ MolecularWeight: 464.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O/c1-21-13-14-22(2)27(19-21)30-23(3)29(26-11-7-8-12-28(26)33-30)31(35)32-25-15-17-34(18-16-25)20-24-9-5-4-6-10-24/h4-14,19,25H,15-18,20H2,1-3H3,(H,32,35)/p+1