3-[(2-chlorophenyl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 3-[(2-chlorophenyl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: 3-[(2-chlorophenyl)methylammonio]-4-methyl-pentanoate CAS Name: 3-[(2-chlorophenyl)methylammonio]-4-methylpentanoate IUPAC Name: 3-[(2-chlorophenyl)methylazaniumyl]-4-methylpentanoate Traditional Name: 3-[(2-chlorobenzyl)ammonio]-4-methyl-valerate Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC=CC=C1Cl

InChI

InChI=1S/C13H18ClNO2/c1-9(2)12(7-13(16)17)15-8-10-5-3-4-6-11(10)14/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)