N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2-(3-thienyl)acetamide CAS Name: N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2-thiophen-3-ylacetamide Traditional Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2-(3-thienyl)acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CC3=CSC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CC3=CSC=C3

InChI

InChI=1S/C17H21N3OS/c21-17(10-14-6-9-22-13-14)19-16-5-3-8-20(12-16)11-15-4-1-2-7-18-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2,(H,19,21)/p+1/t16-/m0/s1