2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3CCCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-15-10-16(2)20-17(11-15)12-18(21(27)24-20)14-26(8-7-25(3)4)22(29)23-13-19-6-5-9-28-19/h10-12,19H,5-9,13-14H2,1-4H3,(H,23,29)(H,24,27)/p+1/t19-/m0/s1