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

Systemtic Name: [(2S)-3-[3,4-bis(oxidanyl)phenyl]-1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-[(3,4-dihydroxyphenyl)methyl]-2-ethoxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(3,4-dihydroxyphenyl)-1-ethoxy-2-methyl-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(3,4-dihydroxyphenyl)-1-ethoxy-2-methyl-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-ethoxy-2-keto-1-methyl-1-protocatechuyl-ethyl]ammonium Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)[NH3+]

Isomeric SMILES

CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)[NH3+]

InChI

InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/p+1/t12-/m0/s1