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

Systemtic Name: 2-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCC3CCCO3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C21H30N4O3S/c1-24(2)8-9-25(21(29)22-13-18-5-4-10-28-18)14-16-11-15-12-17(27-3)6-7-19(15)23-20(16)26/h6-7,11-12,18H,4-5,8-10,13-14H2,1-3H3,(H,22,29)(H,23,26)/p+1/t18-/m1/s1