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

Systemtic Name: [(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]azanium Openeye Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-isochroman-3-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]azanium Traditional Name: [(1S)-1-[(3S)-8-hydroxy-1-keto-isochroman-3-yl]-3-methyl-butyl]ammonium Formula: C14H20NO3+ MolecularWeight: 250.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/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/p+1/t10-,12-/m0/s1