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

Systemtic Name: dimethyl-[3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[propylamino(sulfanylidene)methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl]azanium Traditional Name: 3-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(propylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-5-10-21-20(26)24(12-7-11-23(3)4)14-17-13-16-9-6-8-15(2)18(16)22-19(17)25/h6,8-9,13H,5,7,10-12,14H2,1-4H3,(H,21,26)(H,22,25)/p+1