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

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[ethylamino(sulfanylidene)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[ethylthiocarbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-6-20-19(25)23(10-9-22(4)5)12-16-11-15-8-7-13(2)14(3)17(15)21-18(16)24/h7-8,11H,6,9-10,12H2,1-5H3,(H,20,25)(H,21,24)/p+1