[(1S)-2-(1,3-benzothiazol-6-ylcarbonylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(1,3-benzothiazol-6-ylcarbonylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzothiazole-6-carbonylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzothiazole-6-carbonylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(1,3-benzothiazole-6-carbonylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N3O3S/c1-23(2)16(13-6-8-17(25-3)18(9-13)26-4)11-21-20(24)14-5-7-15-19(10-14)27-12-22-15/h5-10,12,16H,11H2,1-4H3,(H,21,24)/p+1/t16-/m1/s1