(2S)-2-[4-chloranyl-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[4-chloranyl-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propanoate CAS Name: (2S)-2-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-chloro-3-[(dimethylazaniumyl)methyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-chloro-3-[(dimethylammonio)methyl]phenoxy]propionate Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC(=C(C=C1)Cl)C[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC(=C(C=C1)Cl)C[NH+](C)C

InChI

InChI=1S/C12H16ClNO3/c1-8(12(15)16)17-10-4-5-11(13)9(6-10)7-14(2)3/h4-6,8H,7H2,1-3H3,(H,15,16)/t8-/m0/s1