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

Systemtic Name: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 1-(aminomethyl)-3-phenyl-isochromane-5,6-diol hydrochloride CAS Name: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 1-(aminomethyl)-3-phenyl-isochroman-5,6-diol hydrochloride Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3.Cl

Isomeric SMILES

C1C(OC(C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3.Cl

InChI

InChI=1S/C16H17NO3.ClH/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10;/h1-7,14-15,18-19H,8-9,17H2;1H