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

Systemtic Name: 3-[[2-hydroxyethyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-hydroxyethyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S/c1-22(2)8-4-7-20-19(27)23(9-10-24)13-15-11-14-5-6-16(26-3)12-17(14)21-18(15)25/h5-6,11-12,24H,4,7-10,13H2,1-3H3,(H,20,27)(H,21,25)/p+1