[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: [(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH2+]C2CCOC2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH2+][C@H]2CCOC2=O)O

InChI

InChI=1S/C13H17NO3/c1-8-3-4-10(12(15)7-8)9(2)14-11-5-6-17-13(11)16/h3-4,7,9,11,14-15H,5-6H2,1-2H3/p+1/t9-,11-/m0/s1