5-[(4-methyl-6-oxidanylidene-2-piperidin-1-yl-pyrimidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium

Systemtic Name: 5-[(4-methyl-6-oxidanylidene-2-piperidin-1-yl-pyrimidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium Openeye Name: 5-[[4-methyl-6-oxo-2-(1-piperidyl)pyrimidin-1-yl]methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium CAS Name: 5-[[4-methyl-6-oxo-2-(1-piperidinyl)-1-pyrimidinyl]methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium IUPAC Name: 5-[(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium Traditional Name: 5-[(6-keto-4-methyl-2-piperidino-pyrimidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiolate; piperidin-1-ium Formula: C18H28N6O2S MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)N2CCCCC2)CC3=NN=C(O3)[S-].C1CC[NH2+]CC1

Isomeric SMILES

CC1=CC(=O)N(C(=N1)N2CCCCC2)CC3=NN=C(O3)[S-].C1CC[NH2+]CC1

InChI

InChI=1S/C13H17N5O2S.C5H11N/c1-9-7-11(19)18(8-10-15-16-13(21)20-10)12(14-9)17-5-3-2-4-6-17;1-2-4-6-5-3-1/h7H,2-6,8H2,1H3,(H,16,21);6H,1-5H2