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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

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