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

Systemtic Name: [3-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium chloride Openeye Name: [2-benzyloxy-1-[(3,4-dihydroxyphenyl)methyl]-2-oxo-ethyl]ammonium chloride CAS Name: [3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]ammonium chloride IUPAC Name: [3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride Traditional Name: (2-benzoxy-2-keto-1-protocatechuyl-ethyl)ammonium chloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)O)O)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)O)O)[NH3+].[Cl-]

InChI

InChI=1S/C16H17NO4.ClH/c17-13(8-12-6-7-14(18)15(19)9-12)16(20)21-10-11-4-2-1-3-5-11;/h1-7,9,13,18-19H,8,10,17H2;1H