2-[(4-chlorophenyl)methyl-(2-methylpropyl)azaniumyl]ethanoate

Systemtic Name: 2-[(4-chlorophenyl)methyl-(2-methylpropyl)azaniumyl]ethanoate Openeye Name: 2-[(4-chlorophenyl)methyl-isobutyl-ammonio]acetate CAS Name: 2-[(4-chlorophenyl)methyl-(2-methylpropyl)ammonio]acetate IUPAC Name: 2-[(4-chlorophenyl)methyl-(2-methylpropyl)azaniumyl]acetate Traditional Name: 2-[(4-chlorobenzyl)-isobutyl-ammonio]acetate Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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