3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[methylamino(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(methylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

CNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C18H26N4O2S/c1-19-18(25)22(9-5-8-21(2)3)12-14-10-13-6-7-15(24-4)11-16(13)20-17(14)23/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,19,25)(H,20,23)/p+1