(3S)-3-[(1S)-1-azanyl-3-methyl-butyl]-8-methoxy-3,4-dihydroisochromen-1-one hydrochloride

Systemtic Name: (3S)-3-[(1S)-1-azanyl-3-methyl-butyl]-8-methoxy-3,4-dihydroisochromen-1-one hydrochloride Openeye Name: (3S)-3-[(1S)-1-amino-3-methyl-butyl]-8-methoxy-isochroman-1-one hydrochloride CAS Name: (3S)-3-[(1S)-1-amino-3-methylbutyl]-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one hydrochloride IUPAC Name: (3S)-3-[(1S)-1-amino-3-methylbutyl]-8-methoxy-3,4-dihydroisochromen-1-one hydrochloride Traditional Name: (3S)-3-[(1S)-1-amino-3-methyl-butyl]-8-methoxy-isochroman-1-one hydrochloride Formula: C15H22ClNO3 MolecularWeight: 299.79308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)OC)C(=O)O1)N.Cl

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)OC)C(=O)O1)N.Cl

InChI

InChI=1S/C15H21NO3.ClH/c1-9(2)7-11(16)13-8-10-5-4-6-12(18-3)14(10)15(17)19-13;/h4-6,9,11,13H,7-8,16H2,1-3H3;1H/t11-,13-;/m0./s1