(1R,3S)-3-butyl-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: (1R,3S)-3-butyl-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: (1R,3S)-3-butyl-1-(methylaminomethyl)isochromane-5,6-diol hydrochloride CAS Name: (1R,3S)-3-butyl-1-(methylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: (1R,3S)-3-butyl-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: (1R,3S)-3-butyl-1-(methylaminomethyl)isochroman-5,6-diol hydrochloride Formula: C15H24ClNO3 MolecularWeight: 301.80896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2O)O)C(O1)CNC.Cl

Isomeric SMILES

CCCC[C@H]1CC2=C(C=CC(=C2O)O)[C@@H](O1)CNC.Cl

InChI

InChI=1S/C15H23NO3.ClH/c1-3-4-5-10-8-12-11(14(19-10)9-16-2)6-7-13(17)15(12)18;/h6-7,10,14,16-18H,3-5,8-9H2,1-2H3;1H/t10-,14-;/m0./s1