2-[butylcarbamothioyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[butylcarbamothioyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[butylcarbamothioyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[butylamino(sulfanylidene)methyl]-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[butylcarbamothioyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[butylthiocarbamoyl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=CC(=C2NC1=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=CC(=C2NC1=O)C)C

InChI

InChI=1S/C21H32N4OS/c1-6-7-10-22-21(27)25(12-11-24(4)5)14-17-13-18-15(2)8-9-16(3)19(18)23-20(17)26/h8-9,13H,6-7,10-12,14H2,1-5H3,(H,22,27)(H,23,26)/p+1