2-[(4-chlorophenyl)methyl-propan-2-yl-azaniumyl]ethanoate

Systemtic Name: 2-[(4-chlorophenyl)methyl-propan-2-yl-azaniumyl]ethanoate Openeye Name: 2-[(4-chlorophenyl)methyl-isopropyl-ammonio]acetate CAS Name: 2-[(4-chlorophenyl)methyl-propan-2-ylammonio]acetate IUPAC Name: 2-[(4-chlorophenyl)methyl-propan-2-ylazaniumyl]acetate Traditional Name: 2-[(4-chlorobenzyl)-isopropyl-ammonio]acetate Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO2/c1-9(2)14(8-12(15)16)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)