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

Systemtic Name: (2S)-1-[(4-hydroxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(4-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(4-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(4-hydroxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(4-hydroxybenzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c28-20-12-9-18(10-13-20)17-27-15-5-4-8-22(27)24(29)26-19-11-14-23(25-16-19)30-21-6-2-1-3-7-21/h1-3,6-7,9-14,16,22,28H,4-5,8,15,17H2,(H,26,29)/p+1/t22-/m0/s1