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

Systemtic Name: 3-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]propanoate Openeye Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]propanoate CAS Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-[3-(dimethylazaniumyl)propoxy]phenyl]propanoate Traditional Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]propionate Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-16(2)8-3-9-19-13-6-5-12(15)10-11(13)4-7-14(17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)