(2S)-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[5-(3-hydroxyprop-1-ynyl)-2-thiophenyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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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(S4)C#CCO

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(S4)C#CCO

InChI

InChI=1S/C25H25N3O3S/c29-16-6-9-21-12-13-22(32-21)18-28-15-5-4-10-23(28)25(30)27-19-11-14-24(26-17-19)31-20-7-2-1-3-8-20/h1-3,7-8,11-14,17,23,29H,4-5,10,15-16,18H2,(H,27,30)/p+1/t23-/m0/s1