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

Systemtic Name: 3-[1,3-benzothiazol-2-ylcarbonyl-(4-chloranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-2-yl(oxo)methyl]-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H20ClN4OS2+ MolecularWeight: 431.982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19ClN4OS2/c1-24(2)11-6-12-25(20-23-17-13(21)7-5-10-16(17)28-20)19(26)18-22-14-8-3-4-9-15(14)27-18/h3-5,7-10H,6,11-12H2,1-2H3/p+1