3-phenyl-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole

Systemtic Name: 3-phenyl-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Openeye Name: 3-phenyl-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole CAS Name: 3-phenyl-5-(1-piperazin-4-iumyl)-1,2,4-thiadiazole IUPAC Name: 3-phenyl-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Traditional Name: 3-phenyl-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Formula: C12H15N4S+ MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=NS2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=NS2)C3=CC=CC=C3

InChI

InChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2/p+1