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

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium Formula: C21H25BrN3O2S+ MolecularWeight: 463.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-3-24(4-2)12-13-25(20(26)15-27-17-8-6-5-7-9-17)21-23-18-11-10-16(22)14-19(18)28-21/h5-11,14H,3-4,12-13,15H2,1-2H3/p+1