2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-1,3,4-thiadiazole

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-1,3,4-thiadiazole Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-1,3,4-thiadiazole CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-1,3,4-thiadiazole IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-1,3,4-thiadiazole Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-1,3,4-thiadiazole Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C13H16N4S/c1-16-7-9-17(10-8-16)13-15-14-12(18-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/p+1