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

Systemtic Name: 3-[3-bromanyl-5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]propanoate Openeye Name: 3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]propanoate CAS Name: 3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]propanoate Traditional Name: 3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]propionate Formula: C14H19BrClNO3 MolecularWeight: 364.66256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

InChI

InChI=1S/C14H19BrClNO3/c1-17(2)6-3-7-20-14-10(4-5-13(18)19)8-11(16)9-12(14)15/h8-9H,3-7H2,1-2H3,(H,18,19)