3-[butylcarbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[butylcarbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[butylcarbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[butylamino(sulfanylidene)methyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[butylcarbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[butylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4OS/c1-6-7-9-23-22(28)26(11-8-10-25(4)5)15-18-14-19-17(3)12-16(2)13-20(19)24-21(18)27/h12-14H,6-11,15H2,1-5H3,(H,23,28)(H,24,27)/p+1