3-[1,3-benzothiazol-2-ylcarbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-ylcarbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-2-yl(oxo)methyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H25N4OS2+ MolecularWeight: 425.5901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H24N4OS2/c1-14-12-15(2)19-17(13-14)24-22(29-19)26(11-7-10-25(3)4)21(27)20-23-16-8-5-6-9-18(16)28-20/h5-6,8-9,12-13H,7,10-11H2,1-4H3/p+1