7-methyl-2-(piperidin-1-ium-1-ylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-methyl-2-(piperidin-1-ium-1-ylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-methyl-2-(piperidin-1-ium-1-ylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-methyl-2-(1-piperidin-1-iumylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-methyl-2-(piperidin-1-ium-1-ylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-methyl-2-(piperidin-1-ium-1-ylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H18N4OS+2 MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)SC(=N2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)SC(=N2)C[NH+]3CCCCC3

InChI

InChI=1S/C12H16N4OS/c1-9-7-11(17)16-12(13-9)18-10(14-16)8-15-5-3-2-4-6-15/h7H,2-6,8H2,1H3/p+2