N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-(2-thienyl)acetamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-thiophen-2-ylacetamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-(2-thienyl)acetamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CS3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CS3)O

InChI

InChI=1S/C17H21N3O2S/c21-14-5-2-8-20(12-14)17-13(4-1-7-18-17)11-19-16(22)10-15-6-3-9-23-15/h1,3-4,6-7,9,14,21H,2,5,8,10-12H2,(H,19,22)/p+1/t14-/m0/s1