3-methyl-2-[(3-methylphenyl)methylazaniumyl]pentanoate

Systemtic Name: 3-methyl-2-[(3-methylphenyl)methylazaniumyl]pentanoate Openeye Name: 3-methyl-2-(m-tolylmethylammonio)pentanoate CAS Name: 3-methyl-2-[(3-methylphenyl)methylammonio]pentanoate IUPAC Name: 3-methyl-2-[(3-methylphenyl)methylazaniumyl]pentanoate Traditional Name: 3-methyl-2-[(3-methylbenzyl)ammonio]valerate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-4-11(3)13(14(16)17)15-9-12-7-5-6-10(2)8-12/h5-8,11,13,15H,4,9H2,1-3H3,(H,16,17)