3-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-[[(2S)-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=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3CCCO3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H34N4O2S/c1-16-8-9-17(2)21-20(16)13-18(22(28)25-21)14-27(15-19-7-5-12-29-19)23(30)24-10-6-11-26(3)4/h8-9,13,19H,5-7,10-12,14-15H2,1-4H3,(H,24,30)(H,25,28)/p+1/t19-/m0/s1