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

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-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=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-30-24-9-4-6-20(16-24)19-10-12-22(13-11-19)27-25(29)21-7-5-15-28(17-21)18-23-8-2-3-14-26-23/h2-4,6,8-14,16,21H,5,7,15,17-18H2,1H3,(H,27,29)/p+1/t21-/m0/s1