2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O3S/c1-22(2)11-12-23(20-21-14-7-3-6-10-18(14)27-20)19(24)17-13-25-15-8-4-5-9-16(15)26-17/h3-10,17H,11-13H2,1-2H3/p+1/t17-/m1/s1