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

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium Formula: C20H23BrN3O2S+ MolecularWeight: 449.38452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2S/c1-23(2)11-6-12-24(19(25)14-26-16-7-4-3-5-8-16)20-22-17-10-9-15(21)13-18(17)27-20/h3-5,7-10,13H,6,11-12,14H2,1-2H3/p+1