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

Systemtic Name: 3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]propanoate Openeye Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]propanoate CAS Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]propanoate IUPAC Name: 3-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]propanoate Traditional Name: 3-[3-bromo-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]propionate Formula: C14H20BrNO4 MolecularWeight: 346.2169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4/c1-16(2)6-7-20-14-11(15)8-10(4-5-13(17)18)9-12(14)19-3/h8-9H,4-7H2,1-3H3,(H,17,18)