(2S)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-hydroxy-6-methoxy-benzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C25H27N3O4/c1-31-23-12-7-11-22(29)20(23)17-28-15-6-5-10-21(28)25(30)27-18-13-14-24(26-16-18)32-19-8-3-2-4-9-19/h2-4,7-9,11-14,16,21,29H,5-6,10,15,17H2,1H3,(H,27,30)/p+1/t21-/m0/s1