2-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-hydroxy-4-(3-pyridinyl)-1-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC(=O)NCC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H21N3O2S/c21-16(19-12-15-4-2-10-23-15)13-20-8-5-17(22,6-9-20)14-3-1-7-18-11-14/h1-4,7,10-11,22H,5-6,8-9,12-13H2,(H,19,21)/p+1