1-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol hydrochloride

Systemtic Name: 1-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol hydrochloride Openeye Name: 1-(aminomethyl)-3-butyl-isothiochromane-5,6-diol hydrochloride CAS Name: 1-(aminomethyl)-3-butyl-3,4-dihydro-1H-2-benzothiopyran-5,6-diol hydrochloride IUPAC Name: 1-(aminomethyl)-3-butyl-3,4-dihydro-1H-isothiochromene-5,6-diol hydrochloride Traditional Name: 1-(aminomethyl)-3-butyl-isothiochroman-5,6-diol hydrochloride Formula: C14H22ClNO2S MolecularWeight: 303.84798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2O)O)C(S1)CN.Cl

Isomeric SMILES

CCCCC1CC2=C(C=CC(=C2O)O)C(S1)CN.Cl

InChI

InChI=1S/C14H21NO2S.ClH/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17;/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3;1H