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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-19-13-17-18-16(19)23-12-15(22)21-9-7-20(8-10-21)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/p+1