3-[1,3-benzothiazol-2-ylcarbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-ylcarbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-2-carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-2-yl(oxo)methyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-2-carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-2-carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S2/c1-24(2)11-6-12-25(20(26)19-22-15-7-4-5-8-17(15)28-19)21-23-16-13-14(27-3)9-10-18(16)29-21/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1