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

Systemtic Name: 2-[cyclohexylcarbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexylthiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3CCCCC3

InChI

InChI=1S/C22H32N4OS/c1-16-8-7-9-17-14-18(21(27)24-20(16)17)15-26(13-12-25(2)3)22(28)23-19-10-5-4-6-11-19/h7-9,14,19H,4-6,10-13,15H2,1-3H3,(H,23,28)(H,24,27)/p+1