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

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O2/c1-30-22-9-6-7-20(17-22)23-10-2-3-11-24(23)27-25(29)19-12-15-28(16-13-19)18-21-8-4-5-14-26-21/h2-11,14,17,19H,12-13,15-16,18H2,1H3,(H,27,29)/p+1