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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

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