3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(4,5-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=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

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