(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)-[2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: (3,3-dimethyl-5-oxidanylidene-cyclohexylidene)-[2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]azanium Openeye Name: (3,3-dimethyl-5-oxo-cyclohexylidene)-[2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]ammonium CAS Name: (3,3-dimethyl-5-oxocyclohexylidene)-[2-[4-[methylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: (3,3-dimethyl-5-oxocyclohexylidene)-[2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: (5-keto-3,3-dimethyl-cyclohexylidene)-[2-[4-(methylthiocarbamoyl)piperazin-1-ium-1-yl]ethyl]ammonium Formula: C16H30N4OS+2 MolecularWeight: 326.5006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]CC[NH+]2CCN(CC2)C(=S)NC)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=[NH+]CC[NH+]2CCN(CC2)C(=S)NC)CC(=O)C1)C

InChI

InChI=1S/C16H28N4OS/c1-16(2)11-13(10-14(21)12-16)18-4-5-19-6-8-20(9-7-19)15(22)17-3/h4-12H2,1-3H3,(H,17,22)/p+2