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

Systemtic Name: 2-[1,3-benzothiazol-2-ylcarbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazole-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazole-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazole-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S2/c1-4-27-15-9-7-11-17-18(15)23-21(29-17)25(13-12-24(2)3)20(26)19-22-14-8-5-6-10-16(14)28-19/h5-11H,4,12-13H2,1-3H3/p+1