[3-[3,4-bis(oxidanyl)phenyl]-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

Systemtic Name: [3-[3,4-bis(oxidanyl)phenyl]-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium Openeye Name: [1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-1-methyl-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]-trimethylammonium IUPAC Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]-trimethylazanium Traditional Name: (2-hydroxy-2-keto-1-methyl-1-protocatechuyl-ethyl)-trimethyl-ammonium Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C13H19NO4/c1-13(12(17)18,14(2,3)4)8-9-5-6-10(15)11(16)7-9/h5-7H,8H2,1-4H3,(H2-,15,16,17,18)/p+1