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

Systemtic Name: 3-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1CCCO1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(C[C@H]1CCCO1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C22H32N4O3S/c1-25(2)10-5-9-23-22(30)26(15-19-6-4-11-29-19)14-17-12-16-13-18(28-3)7-8-20(16)24-21(17)27/h7-8,12-13,19H,4-6,9-11,14-15H2,1-3H3,(H,23,30)(H,24,27)/p+1/t19-/m1/s1