4-[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]butanoate

Systemtic Name: 4-[(2,4-dimethoxyphenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(2,4-dimethoxyphenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(2,4-dimethoxyphenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(2,4-dimethoxyphenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[(2,4-dimethoxybenzyl)-methyl-ammonio]butyrate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-15(8-4-5-14(16)17)10-11-6-7-12(18-2)9-13(11)19-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)