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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2=C(CS1)C=CC(=C2O)O)CN.Cl

Isomeric SMILES

CCCCC1C(C2=C(CS1)C=CC(=C2O)O)CN.Cl

InChI

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