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

Systemtic Name: 4-[(4-chlorophenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(4-chlorophenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(4-chlorophenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(4-chlorophenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[(4-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=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO2/c1-14(8-2-3-12(15)16)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,16)