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

Systemtic Name: (2S)-1-[[4-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[4-(3-hydroxyprop-1-ynyl)-2-thiophenyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[4-(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(=CS4)C#CCO

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC(=CS4)C#CCO

InChI

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