(2S)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-vanillyl-piperidin-1-ium-2-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)O

InChI

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