(3R)-3-(azepan-1-ium-1-yl)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one CAS Name: (3R)-3-(1-azepan-1-iumyl)-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-5-one IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-5-one Formula: C11H21N4OS+ MolecularWeight: 257.37564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)([NH+]2CCCCCC2)SC

Isomeric SMILES

CC1=NN[C@@](NC1=O)([NH+]2CCCCCC2)SC

InChI

InChI=1S/C11H20N4OS/c1-9-10(16)12-11(17-2,14-13-9)15-7-5-3-4-6-8-15/h14H,3-8H2,1-2H3,(H,12,16)/p+1/t11-/m0/s1