1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide

Systemtic Name: 1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide Openeye Name: 1-(aminomethyl)-3-(1-methylsulfonyl-4-piperidyl)isochromane-5,6-diol hydrobromide CAS Name: 1-(aminomethyl)-3-(1-methylsulfonyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrobromide IUPAC Name: 1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide Traditional Name: 1-(aminomethyl)-3-(1-mesyl-4-piperidyl)isochroman-5,6-diol hydrobromide Formula: C16H25BrN2O5S MolecularWeight: 437.3491

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN.Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN.Br

InChI

InChI=1S/C16H24N2O5S.BrH/c1-24(21,22)18-6-4-10(5-7-18)14-8-12-11(15(9-17)23-14)2-3-13(19)16(12)20;/h2-3,10,14-15,19-20H,4-9,17H2,1H3;1H