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

Systemtic Name: N-[3-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-methoxyphenyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-methoxyphenyl)phenyl]-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(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=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

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

InChI

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