(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methylidene-[2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: (4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methylidene-[2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]azanium Openeye Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]ethyl-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methylene]ammonium CAS Name: 2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]ethyl-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methylidene]ammonium IUPAC Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]ethyl-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylidene]azanium Traditional Name: 2-[4-(ethylthiocarbamoyl)piperazin-1-ium-1-yl]ethyl-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methylene]ammonium Formula: C18H32N4O2S+2 MolecularWeight: 368.53728

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC[NH+]=CC2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC[NH+]=CC2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C18H30N4O2S/c1-4-20-17(25)22-9-7-21(8-10-22)6-5-19-13-14-15(23)11-18(2,3)12-16(14)24/h13,23H,4-12H2,1-3H3,(H,20,25)/p+2