3-[4-chloranyl-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate

Systemtic Name: 3-[4-chloranyl-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate Openeye Name: 3-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propanoate CAS Name: 3-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propanoate IUPAC Name: 3-[4-chloro-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate Traditional Name: 3-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propionate Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)OCCC(=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)OCCC(=O)[O-])Cl

InChI

InChI=1S/C12H16ClNO3/c1-14(2)8-9-7-10(3-4-11(9)13)17-6-5-12(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)