4-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]pentanoate

Systemtic Name: 4-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]pentanoate Openeye Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]pentanoate CAS Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonio]pentanoate IUPAC Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]pentanoate Traditional Name: 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]valerate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5/c1-8(2-5-13(18)19)14-7-12(17)9-3-4-10(15)11(16)6-9/h3-4,6,8,12,14-17H,2,5,7H2,1H3,(H,18,19)