(2S)-2-[(3,4-dichlorophenyl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3,4-dichlorophenyl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,4-dichlorophenyl)methylammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[(3,4-dichlorophenyl)methylammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,4-dichlorophenyl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(3,4-dichlorobenzyl)ammonio]-4-methyl-valerate Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]CC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])[NH2+]CC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO2/c1-8(2)5-12(13(17)18)16-7-9-3-4-10(14)11(15)6-9/h3-4,6,8,12,16H,5,7H2,1-2H3,(H,17,18)/t12-/m0/s1