3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NCCCOC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NCCCOC)C

InChI

InChI=1S/C22H34N4O2S/c1-16-8-9-18-14-19(21(27)24-20(18)17(16)2)15-26(12-7-11-25(3)4)22(29)23-10-6-13-28-5/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,23,29)(H,24,27)/p+1