4-[(3,4-dichlorophenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(3,4-dichlorophenyl)methylazaniumyl]butanoate Openeye Name: 4-[(3,4-dichlorophenyl)methylammonio]butanoate CAS Name: 4-[(3,4-dichlorophenyl)methylammonio]butanoate IUPAC Name: 4-[(3,4-dichlorophenyl)methylazaniumyl]butanoate Traditional Name: 4-[(3,4-dichlorobenzyl)ammonio]butyrate Formula: C11H13Cl2NO2 MolecularWeight: 262.13242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CCCC(=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CCCC(=O)[O-])Cl)Cl

InChI

InChI=1S/C11H13Cl2NO2/c12-9-4-3-8(6-10(9)13)7-14-5-1-2-11(15)16/h3-4,6,14H,1-2,5,7H2,(H,15,16)