5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-benzoate

Systemtic Name: 5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-benzoate Openeye Name: 5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-benzoate CAS Name: 5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxybenzoate IUPAC Name: 5-bromo-2-[3-(dimethylazaniumyl)propoxy]-3-methoxybenzoate Traditional Name: 5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-benzoate Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1C(=O)[O-])Br)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1C(=O)[O-])Br)OC

InChI

InChI=1S/C13H18BrNO4/c1-15(2)5-4-6-19-12-10(13(16)17)7-9(14)8-11(12)18-3/h7-8H,4-6H2,1-3H3,(H,16,17)