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

Systemtic Name: 2-[3-(diethylazaniumyl)propylcarbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(diethylammonio)propylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(diethylammonio)propylamino]-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(diethylazaniumyl)propylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[3-(diethylammonio)propylthiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H39N5OS+2 MolecularWeight: 433.65366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5OS/c1-6-27(7-2)13-9-12-24-23(30)28(15-14-26(4)5)17-20-16-19-11-8-10-18(3)21(19)25-22(20)29/h8,10-11,16H,6-7,9,12-15,17H2,1-5H3,(H,24,30)(H,25,29)/p+2