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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-4-15-5-7-17-20(13-15)29-22(23-17)25(10-9-24(2)3)21(26)16-6-8-18-19(14-16)28-12-11-27-18/h5-8,13-14H,4,9-12H2,1-3H3/p+1