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

Systemtic Name: 3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]benzoate Openeye Name: 3-bromo-4-[3-(dimethylammonio)propoxy]benzoate CAS Name: 3-bromo-4-[3-(dimethylammonio)propoxy]benzoate IUPAC Name: 3-bromo-4-[3-(dimethylazaniumyl)propoxy]benzoate Traditional Name: 3-bromo-4-[3-(dimethylammonio)propoxy]benzoate Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)C(=O)[O-])Br

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)C(=O)[O-])Br

InChI

InChI=1S/C12H16BrNO3/c1-14(2)6-3-7-17-11-5-4-9(12(15)16)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)