3-[methyl-[(3-methylphenyl)methyl]azaniumyl]propanoate

Systemtic Name: 3-[methyl-[(3-methylphenyl)methyl]azaniumyl]propanoate Openeye Name: 3-[methyl(m-tolylmethyl)ammonio]propanoate CAS Name: 3-[methyl-[(3-methylphenyl)methyl]ammonio]propanoate IUPAC Name: 3-[methyl-[(3-methylphenyl)methyl]azaniumyl]propanoate Traditional Name: 3-[methyl-(3-methylbenzyl)ammonio]propionate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-10-4-3-5-11(8-10)9-13(2)7-6-12(14)15/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)