N-[2-(3-methoxyphenyl)phenyl]-1-(quinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-(quinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-(5-quinolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-(5-quinolinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-(quinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-(5-quinolylmethyl)piperidin-1-ium-4-carboxamide Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C29H29N3O2/c1-34-24-9-4-7-22(19-24)25-10-2-3-12-28(25)31-29(33)21-14-17-32(18-15-21)20-23-8-5-13-27-26(23)11-6-16-30-27/h2-13,16,19,21H,14-15,17-18,20H2,1H3,(H,31,33)/p+1