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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O3S/c1-14-4-6-16-19(12-14)28-21(22-16)24(9-8-23(2)3)20(25)15-5-7-17-18(13-15)27-11-10-26-17/h4-7,12-13H,8-11H2,1-3H3/p+1