(1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol chloride

Systemtic Name: (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol chloride Openeye Name: (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)isochroman-5-ol chloride CAS Name: (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5-ol chloride IUPAC Name: (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol chloride Traditional Name: (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)isochroman-5-ol chloride Formula: C20H31ClNO2- MolecularWeight: 352.91864

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1C2=C(CC(O1)C3CCCCC3)C(=C(C=C2)C)O.[Cl-]

Isomeric SMILES

CCCNC[C@H]1C2=C(C[C@H](O1)C3CCCCC3)C(=C(C=C2)C)O.[Cl-]

InChI

InChI=1S/C20H31NO2.ClH/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15;/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3;1H/p-1/t18-,19-;/m0./s1