1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]piperazine-1,4-diium Formula: C11H23N5S+2 MolecularWeight: 257.39882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC2=NN=C(N2C)SC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC2=NN=C(N2C)SC

InChI

InChI=1S/C11H21N5S/c1-14-6-8-16(9-7-14)5-4-10-12-13-11(17-3)15(10)2/h4-9H2,1-3H3/p+2