5-ethanoyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethanoyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H21N3O2S/c1-13(22)16-7-8-17(24-16)18(23)20-15-6-4-10-21(12-15)11-14-5-2-3-9-19-14/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,20,23)/p+1/t15-/m0/s1