2-methylsulfanyl-1-[4-[4-(piperazin-4-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[4-[4-(piperazin-4-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-methylsulfanyl-1-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]-1-piperidyl]ethanone CAS Name: 2-(methylthio)-1-[4-[4-(1-piperazin-4-iumylmethyl)-1-triazolyl]-1-piperidinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(methylthio)-1-[4-[4-(piperazin-4-ium-1-ylmethyl)triazol-1-yl]piperidino]ethanone Formula: C15H27N6OS+ MolecularWeight: 339.47948

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)N2C=C(N=N2)CN3CC[NH2+]CC3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)N2C=C(N=N2)CN3CC[NH2+]CC3

InChI

InChI=1S/C15H26N6OS/c1-23-12-15(22)20-6-2-14(3-7-20)21-11-13(17-18-21)10-19-8-4-16-5-9-19/h11,14,16H,2-10,12H2,1H3/p+1