1-(methylaminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide

Systemtic Name: 1-(methylaminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Openeye Name: 1-(methylaminomethyl)-3-(1-phenethyl-4-piperidyl)isochromane-5,6-diol dihydrobromide CAS Name: 1-(methylaminomethyl)-3-(1-phenethyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol dihydrobromide IUPAC Name: 1-(methylaminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Traditional Name: 1-(methylaminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-5,6-diol dihydrobromide Formula: C24H34Br2N2O3 MolecularWeight: 558.34636

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1C2=C(CC(O1)C3CCN(CC3)CCC4=CC=CC=C4)C(=C(C=C2)O)O.Br.Br

Isomeric SMILES

CNCC1C2=C(CC(O1)C3CCN(CC3)CCC4=CC=CC=C4)C(=C(C=C2)O)O.Br.Br

InChI

InChI=1S/C24H32N2O3.2BrH/c1-25-16-23-19-7-8-21(27)24(28)20(19)15-22(29-23)18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17;;/h2-8,18,22-23,25,27-28H,9-16H2,1H3;2*1H