2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS2/c1-13-17-18-16(23-13)22-12-15(21)20-9-7-19(8-10-20)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3/p+1