3-[cyclohexylcarbamothioyl-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[cyclohexylcarbamothioyl-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[cyclohexylcarbamothioyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[cyclohexylcarbamothioyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[cyclohexylthiocarbamoyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3CCCCC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3CCCCC3)C

InChI

InChI=1S/C24H36N4OS/c1-17-13-18(2)22-19(14-17)15-20(23(29)26-22)16-28(12-8-11-27(3)4)24(30)25-21-9-6-5-7-10-21/h13-15,21H,5-12,16H2,1-4H3,(H,25,30)(H,26,29)/p+1