3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3CCCO3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C23H34N4O2S/c1-16-11-18-13-19(22(28)25-21(18)12-17(16)2)14-27(15-20-7-5-10-29-20)23(30)24-8-6-9-26(3)4/h11-13,20H,5-10,14-15H2,1-4H3,(H,24,30)(H,25,28)/p+1/t20-/m1/s1