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

Systemtic Name: 2-[2-methylpropyl-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[isobutyl-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate CAS Name: 2-[2-methylpropyl-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[2-methylpropyl-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[isobutyl-(3,4,5-trimethoxybenzyl)ammonio]acetate Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO5/c1-11(2)8-17(10-15(18)19)9-12-6-13(20-3)16(22-5)14(7-12)21-4/h6-7,11H,8-10H2,1-5H3,(H,18,19)