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

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[propylamino(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(propylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-5-9-21-20(27)24(11-6-10-23(2)3)14-16-12-15-7-8-17(26-4)13-18(15)22-19(16)25/h7-8,12-13H,5-6,9-11,14H2,1-4H3,(H,21,27)(H,22,25)/p+1