3-[(10aR)-7,8-dimethoxy-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(10aR)-7,8-dimethoxy-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propyl-dimethyl-azanium Openeye Name: 3-[(10aR)-7,8-dimethoxy-1-oxo-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propyl-dimethyl-ammonium CAS Name: 3-[(10aR)-7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propyl-dimethylammonium IUPAC Name: 3-[(10aR)-7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propyl-dimethylazanium Traditional Name: 3-[(10aR)-1-keto-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl]propyl-dimethyl-ammonium Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2CC3=CC(=C(C=C3CN2C1=S)OC)OC

Isomeric SMILES

C[NH+](C)CCCN1C(=O)[C@H]2CC3=CC(=C(C=C3CN2C1=S)OC)OC

InChI

InChI=1S/C18H25N3O3S/c1-19(2)6-5-7-20-17(22)14-8-12-9-15(23-3)16(24-4)10-13(12)11-21(14)18(20)25/h9-10,14H,5-8,11H2,1-4H3/p+1/t14-/m1/s1