2-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium Formula: C19H21BrN3OS+ MolecularWeight: 419.35854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CC3=CC=CC=C3

InChI

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