2-[prop-2-enyl-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[prop-2-enyl-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[allyl-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate CAS Name: 2-[prop-2-enyl-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[prop-2-enyl-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[allyl-(3,4,5-trimethoxybenzyl)ammonio]acetate Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+](CC=C)CC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+](CC=C)CC(=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-5-6-16(10-14(17)18)9-11-7-12(19-2)15(21-4)13(8-11)20-3/h5,7-8H,1,6,9-10H2,2-4H3,(H,17,18)