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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(3-bromophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(3-bromobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(3-bromophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3-bromobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(3-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=C3)Br

Isomeric SMILES

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

InChI

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