[3-carboxy-4-(2-hydroxyphenyl)-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-4-(2-hydroxyphenyl)-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-hydroxy-4-(2-hydroxyphenyl)-4-oxo-butyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-hydroxy-4-(2-hydroxyphenyl)-4-oxobutyl]-trimethylammonium IUPAC Name: [3-carboxy-2-hydroxy-4-(2-hydroxyphenyl)-4-oxobutyl]-trimethylazanium Traditional Name: [3-carboxy-2-hydroxy-4-(2-hydroxyphenyl)-4-keto-butyl]-trimethyl-ammonium Formula: C14H20NO5+ MolecularWeight: 282.3123

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)C1=CC=CC=C1O)C(=O)O)O

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)C1=CC=CC=C1O)C(=O)O)O

InChI

InChI=1S/C14H19NO5/c1-15(2,3)8-11(17)12(14(19)20)13(18)9-6-4-5-7-10(9)16/h4-7,11-12,17H,8H2,1-3H3,(H-,16,18,19,20)/p+1