4-[(3-chlorophenyl)methyl-methyl-azaniumyl]butanoate

Systemtic Name: 4-[(3-chlorophenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(3-chlorophenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(3-chlorophenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(3-chlorophenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[(3-chlorobenzyl)-methyl-ammonio]butyrate Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO2/c1-14(7-3-6-12(15)16)9-10-4-2-5-11(13)8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,16)