3-[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]propanoate

Systemtic Name: 3-[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]propanoate Openeye Name: 3-[(2,4-dimethoxyphenyl)methyl-methyl-ammonio]propanoate CAS Name: 3-[(2,4-dimethoxyphenyl)methyl-methylammonio]propanoate IUPAC Name: 3-[(2,4-dimethoxyphenyl)methyl-methylazaniumyl]propanoate Traditional Name: 3-[(2,4-dimethoxybenzyl)-methyl-ammonio]propionate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-14(7-6-13(15)16)9-10-4-5-11(17-2)8-12(10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)