3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(dimethylammonio)propylamino]-sulfanylidenemethyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-(dimethylammonio)propyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H37N5O2S+2 MolecularWeight: 435.62648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-25(2)11-6-10-23-22(30)27(13-7-12-26(3)4)16-18-14-17-8-9-19(29-5)15-20(17)24-21(18)28/h8-9,14-15H,6-7,10-13,16H2,1-5H3,(H,23,30)(H,24,28)/p+2