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

Systemtic Name: 2-[1,3-benzothiazol-6-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazole-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazole-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazole-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H21N4OS2+ MolecularWeight: 397.53694

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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)N=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H20N4OS2/c1-13-4-6-16-18(10-13)27-20(22-16)24(9-8-23(2)3)19(25)14-5-7-15-17(11-14)26-12-21-15/h4-7,10-12H,8-9H2,1-3H3/p+1