2-(4-ethylphenyl)-6-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)-6-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(4-ethylphenyl)-6-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethylphenyl)-6-methyl-cinchoninamide Formula: C31H34N3O+ MolecularWeight: 464.62116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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