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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O2/c1-30-22-13-11-19(12-14-22)23-9-2-3-10-24(23)27-25(29)20-7-6-16-28(17-20)18-21-8-4-5-15-26-21/h2-5,8-15,20H,6-7,16-18H2,1H3,(H,27,29)/p+1/t20-/m0/s1