N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-isopropylphenyl)quinoline-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-p-cumenyl-cinchoninamide Formula: C31H34N3O+ MolecularWeight: 464.62116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O/c1-22(2)24-12-14-25(15-13-24)30-20-28(27-10-6-7-11-29(27)33-30)31(35)32-26-16-18-34(19-17-26)21-23-8-4-3-5-9-23/h3-15,20,22,26H,16-19,21H2,1-2H3,(H,32,35)/p+1