3-[1,3-benzothiazol-2-yl-(2-bromophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(2-bromophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2-bromobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(2-bromophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2-bromobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(2-bromobenzoyl)amino]propyl-dimethyl-ammonium Formula: C19H21BrN3OS+ MolecularWeight: 419.35854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H20BrN3OS/c1-22(2)12-7-13-23(18(24)14-8-3-4-9-15(14)20)19-21-16-10-5-6-11-17(16)25-19/h3-6,8-11H,7,12-13H2,1-2H3/p+1