2-[1,3-benzothiazol-2-ylcarbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-ylcarbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H23N4O3S2+ MolecularWeight: 443.56232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S2/c1-24(2)11-12-25(20(26)19-22-13-7-5-6-8-16(13)29-19)21-23-17-14(27-3)9-10-15(28-4)18(17)30-21/h5-10H,11-12H2,1-4H3/p+1