2-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]-2-ethyl-propanedioate

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]-2-ethyl-propanedioate Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-ethyl-propanedioate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethylammonio]methyl]-2-ethylpropanedioate IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)ethylazaniumyl]methyl]-2-ethylpropanedioate Traditional Name: 2-ethyl-2-[(homoveratrylammonio)methyl]malonate Formula: C16H22NO6- MolecularWeight: 324.34898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH2+]CCC1=CC(=C(C=C1)OC)OC)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C[NH2+]CCC1=CC(=C(C=C1)OC)OC)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H23NO6/c1-4-16(14(18)19,15(20)21)10-17-8-7-11-5-6-12(22-2)13(9-11)23-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21)/p-1