1-(aminomethyl)-3-hexyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: 1-(aminomethyl)-3-hexyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 1-(aminomethyl)-3-hexyl-isochromane-5,6-diol hydrochloride CAS Name: 1-(aminomethyl)-3-hexyl-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 1-(aminomethyl)-3-hexyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 1-(aminomethyl)-3-hexyl-isochroman-5,6-diol hydrochloride Formula: C16H26ClNO3 MolecularWeight: 315.83554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC2=C(C=CC(=C2O)O)C(O1)CN.Cl

Isomeric SMILES

CCCCCCC1CC2=C(C=CC(=C2O)O)C(O1)CN.Cl

InChI

InChI=1S/C16H25NO3.ClH/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19;/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3;1H