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

Systemtic Name: 3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Openeye Name: 3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]propanoate CAS Name: 3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Traditional Name: 3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]propionate Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3/c1-15(2)7-8-18-12-5-4-11(14)9-10(12)3-6-13(16)17/h4-5,9H,3,6-8H2,1-2H3,(H,16,17)