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

Systemtic Name: 2-[1,3-benzothiazol-2-ylcarbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazole-2-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazole-2-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3

InChI

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