2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C15H27N6OS+ MolecularWeight: 339.47948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C15H26N6OS/c1-19-7-9-20(10-8-19)13(22)11-23-15-18-17-14(21(15)16)12-5-3-2-4-6-12/h12H,2-11,16H2,1H3/p+1