N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylamino)-6-oxidanylidene-cyclohexene-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylamino)-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylamino)-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4,4-dimethyl-2-[2-(4-morpholin-4-iumyl)ethylamino]-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-6-keto-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylamino)cyclohexene-1-carbothioamide Formula: C21H29FN3O2S+ MolecularWeight: 406.537263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C21H28FN3O2S/c1-21(2)13-17(23-7-8-25-9-11-27-12-10-25)19(18(26)14-21)20(28)24-16-5-3-15(22)4-6-16/h3-6,23H,7-14H2,1-2H3,(H,24,28)/p+1