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

Systemtic Name: 3-[1,3-benzothiazol-2-ylcarbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-2-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H25N4O3S2+ MolecularWeight: 457.5889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-25(2)12-7-13-26(21(27)20-23-14-8-5-6-9-17(14)30-20)22-24-18-15(28-3)10-11-16(29-4)19(18)31-22/h5-6,8-11H,7,12-13H2,1-4H3/p+1