3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-benzoate

Systemtic Name: 3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-benzoate Openeye Name: 3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-benzoate CAS Name: 3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxybenzoate IUPAC Name: 3-bromo-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxybenzoate Traditional Name: 3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-benzoate Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

InChI

InChI=1S/C12H16BrNO4/c1-14(2)4-5-18-11-9(13)6-8(12(15)16)7-10(11)17-3/h6-7H,4-5H2,1-3H3,(H,15,16)