3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C23H27N3O3S/c1-15-12-16(2)21-20(13-15)30-23(24-21)26(9-5-8-25(3)4)22(27)17-6-7-18-19(14-17)29-11-10-28-18/h6-7,12-14H,5,8-11H2,1-4H3/p+1