2-ethyl-7-piperazin-4-ium-1-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2-ethyl-7-piperazin-4-ium-1-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-ethyl-7-piperazin-4-ium-1-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-ethyl-7-(1-piperazin-4-iumyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-ethyl-7-piperazin-4-ium-1-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-ethyl-7-piperazin-4-ium-1-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C11H17N5OS+2 MolecularWeight: 267.35058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)N3CC[NH2+]CC3

InChI

InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3/p+2