2-[(4-methylphenyl)methyl-prop-2-enyl-azaniumyl]ethanoate

Systemtic Name: 2-[(4-methylphenyl)methyl-prop-2-enyl-azaniumyl]ethanoate Openeye Name: 2-[allyl(p-tolylmethyl)ammonio]acetate CAS Name: 2-[(4-methylphenyl)methyl-prop-2-enylammonio]acetate IUPAC Name: 2-[(4-methylphenyl)methyl-prop-2-enylazaniumyl]acetate Traditional Name: 2-[allyl-(4-methylbenzyl)ammonio]acetate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-3-8-14(10-13(15)16)9-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,15,16)