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

Systemtic Name: 3-methyl-N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-[(3R)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[[2-[(3R)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-[(3R)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[[2-[(3R)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-3-methyl-thiophene-2-carboxamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC1=C(SC=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@H](C3)O

InChI

InChI=1S/C17H21N3O2S/c1-12-6-9-23-15(12)17(22)19-10-13-4-2-7-18-16(13)20-8-3-5-14(21)11-20/h2,4,6-7,9,14,21H,3,5,8,10-11H2,1H3,(H,19,22)/p+1/t14-/m1/s1