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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-propoxyphenyl)cinchoninamide Formula: C31H34N3O2+ MolecularWeight: 480.62056

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2/c1-2-20-36-26-14-12-24(13-15-26)30-21-28(27-10-6-7-11-29(27)33-30)31(35)32-25-16-18-34(19-17-25)22-23-8-4-3-5-9-23/h3-15,21,25H,2,16-20,22H2,1H3,(H,32,35)/p+1