N-[[(3R)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CN=CC=C3)O

InChI

InChI=1S/C22H27N3O2S/c1-22(2,27)10-9-19-7-8-20(28-19)16-25-12-4-5-17(15-25)13-24-21(26)18-6-3-11-23-14-18/h3,6-8,11,14,17,27H,4-5,12-13,15-16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1