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

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

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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)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCOC3=CC=CC=C3

InChI

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