3-(azepan-1-ium-1-yl)-6-methylidene-3-methylsulfanyl-1,2,4-triazinan-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(=O)C(=C)NN1)[NH+]2CCCCCC2

Isomeric SMILES

CSC1(NC(=O)C(=C)NN1)[NH+]2CCCCCC2

InChI

InChI=1S/C11H20N4OS/c1-9-10(16)12-11(17-2,14-13-9)15-7-5-3-4-6-8-15/h13-14H,1,3-8H2,2H3,(H,12,16)/p+1