3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]propanoate Openeye Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]propanoate CAS Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]propanoate IUPAC Name: 3-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]propanoate Traditional Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]propionate Formula: C15H22BrNO4 MolecularWeight: 360.24348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+](C)C

InChI

InChI=1S/C15H22BrNO4/c1-4-20-13-10-11(5-6-14(18)19)9-12(16)15(13)21-8-7-17(2)3/h9-10H,4-8H2,1-3H3,(H,18,19)