N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c21-17(16-7-4-10-22-16)19-11-14-5-3-9-20(12-14)13-15-6-1-2-8-18-15/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,19,21)/p+1/t14-/m1/s1