1-[4-(2-azanylethyl)-6-ethanoyl-1,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]ethanone hydrobromide

Systemtic Name: 1-[4-(2-azanylethyl)-6-ethanoyl-1,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]ethanone hydrobromide Openeye Name: 1-[6-acetyl-4-(2-aminoethyl)-1,6-dihydroxy-cyclohexa-2,4-dien-1-yl]ethanone hydrobromide CAS Name: 1-[6-acetyl-4-(2-aminoethyl)-1,6-dihydroxy-1-cyclohexa-2,4-dienyl]ethanone hydrobromide IUPAC Name: 1-[6-acetyl-4-(2-aminoethyl)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]ethanone hydrobromide Traditional Name: 1-[6-acetyl-4-(2-aminoethyl)-1,6-dihydroxy-cyclohexa-2,4-dien-1-yl]ethanone hydrobromide Formula: C12H18BrNO4 MolecularWeight: 320.17962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC(=CC1(C(=O)C)O)CCN)O.Br

Isomeric SMILES

CC(=O)C1(C=CC(=CC1(C(=O)C)O)CCN)O.Br

InChI

InChI=1S/C12H17NO4.BrH/c1-8(14)11(16)5-3-10(4-6-13)7-12(11,17)9(2)15;/h3,5,7,16-17H,4,6,13H2,1-2H3;1H