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

Systemtic Name: 3-[[2-(dimethylazaniumyl)ethyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(dimethylammonio)ethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(dimethylammonio)ethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(dimethylazaniumyl)ethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(dimethylammonio)ethyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H35N5O2S+2 MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O2S/c1-24(2)10-6-9-22-21(29)26(12-11-25(3)4)15-17-13-16-7-8-18(28-5)14-19(16)23-20(17)27/h7-8,13-14H,6,9-12,15H2,1-5H3,(H,22,29)(H,23,27)/p+2