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

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-quinolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-quinolinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-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=NC5=CC=CC=C5C=C4

Isomeric SMILES

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

InChI

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