4-[(3,5-dimethylphenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(3,5-dimethylphenyl)methylazaniumyl]butanoate Openeye Name: 4-[(3,5-dimethylphenyl)methylammonio]butanoate CAS Name: 4-[(3,5-dimethylphenyl)methylammonio]butanoate IUPAC Name: 4-[(3,5-dimethylphenyl)methylazaniumyl]butanoate Traditional Name: 4-[(3,5-dimethylbenzyl)ammonio]butyrate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH2+]CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH2+]CCCC(=O)[O-])C

InChI

InChI=1S/C13H19NO2/c1-10-6-11(2)8-12(7-10)9-14-5-3-4-13(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,15,16)