4-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-4-methyl-thiadiazole-5-carboxamide Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC1=C(SN=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C15H19N5O2S/c1-10-13(23-19-18-10)15(22)17-8-11-4-2-6-16-14(11)20-7-3-5-12(21)9-20/h2,4,6,12,21H,3,5,7-9H2,1H3,(H,17,22)/p+1/t12-/m0/s1