[(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]azanium chloride

Systemtic Name: [(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]azanium chloride Openeye Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-isochroman-3-yl]-3-methyl-butyl]ammonium chloride CAS Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]ammonium chloride IUPAC Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]azanium chloride Traditional Name: [(1S)-1-[(3S)-8-hydroxy-1-keto-isochroman-3-yl]-3-methyl-butyl]ammonium chloride Formula: C14H20ClNO3 MolecularWeight: 285.7665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)[NH3+].[Cl-]

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)[NH3+].[Cl-]

InChI

InChI=1S/C14H19NO3.ClH/c1-8(2)6-10(15)12-7-9-4-3-5-11(16)13(9)14(17)18-12;/h3-5,8,10,12,16H,6-7,15H2,1-2H3;1H/t10-,12-;/m0./s1