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

Systemtic Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3S/c1-15-8-6-11-19-20(15)23-22(29-19)25(13-7-12-24(2)3)21(26)18-14-27-16-9-4-5-10-17(16)28-18/h4-6,8-11,18H,7,12-14H2,1-3H3/p+1/t18-/m1/s1