5,5-dimethyl-3-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethylimino]cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethylimino]cyclohexen-1-olate Openeye Name: 3-[2-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-[2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]ethylimino]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethylimino]cyclohexen-1-olate Traditional Name: 3-[2-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate Formula: C18H30N4OS MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4OS/c1-4-5-20-17(24)22-10-8-21(9-11-22)7-6-19-15-12-16(23)14-18(2,3)13-15/h4,12,23H,1,5-11,13-14H2,2-3H3,(H,20,24)