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

Systemtic Name: (2S)-1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[4-(2-hydroxyethoxy)benzyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)OCCO

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)OCCO

InChI

InChI=1S/C26H29N3O4/c30-16-17-32-22-12-9-20(10-13-22)19-29-15-5-4-8-24(29)26(31)28-21-11-14-25(27-18-21)33-23-6-2-1-3-7-23/h1-3,6-7,9-14,18,24,30H,4-5,8,15-17,19H2,(H,28,31)/p+1/t24-/m0/s1