4-[(2-methylphenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(2-methylphenyl)methylazaniumyl]butanoate Openeye Name: 4-(o-tolylmethylammonio)butanoate CAS Name: 4-[(2-methylphenyl)methylammonio]butanoate IUPAC Name: 4-[(2-methylphenyl)methylazaniumyl]butanoate Traditional Name: 4-[(2-methylbenzyl)ammonio]butyrate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C12H17NO2/c1-10-5-2-3-6-11(10)9-13-8-4-7-12(14)15/h2-3,5-6,13H,4,7-9H2,1H3,(H,14,15)