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

Systemtic Name: 2-[1,3-benzothiazol-2-ylcarbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazole-2-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazole-2-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazole-2-carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H23N4OS2+ MolecularWeight: 411.56352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N4OS2/c1-13-11-14(2)18-17(12-13)28-21(23-18)25(10-9-24(3)4)20(26)19-22-15-7-5-6-8-16(15)27-19/h5-8,11-12H,9-10H2,1-4H3/p+1