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

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-23(2)11-12-24(21-22-19-16(26-3)9-6-10-18(19)29-21)20(25)17-13-27-14-7-4-5-8-15(14)28-17/h4-10,17H,11-13H2,1-3H3/p+1/t17-/m1/s1