5-ethanoyl-N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-ethanoyl-N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[[2-[(3R)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[[2-[(3R)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[2-[(3R)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[[2-[(3R)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@H](C3)O

InChI

InChI=1S/C18H21N3O3S/c1-12(22)15-6-7-16(25-15)18(24)20-10-13-4-2-8-19-17(13)21-9-3-5-14(23)11-21/h2,4,6-8,14,23H,3,5,9-11H2,1H3,(H,20,24)/p+1/t14-/m1/s1