3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-benzoate

Systemtic Name: 3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-benzoate Openeye Name: 3-bromo-4-[3-(dimethylammonio)propoxy]-5-methoxy-benzoate CAS Name: 3-bromo-4-[3-(dimethylammonio)propoxy]-5-methoxybenzoate IUPAC Name: 3-bromo-4-[3-(dimethylazaniumyl)propoxy]-5-methoxybenzoate Traditional Name: 3-bromo-4-[3-(dimethylammonio)propoxy]-5-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=C1Br)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

InChI

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