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

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: [(3S)-2-ketotetrahydrofuran-3-yl]-vanillyl-ammonium Formula: C12H16NO4+ MolecularWeight: 238.25974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCOC2=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+][C@H]2CCOC2=O)O

InChI

InChI=1S/C12H15NO4/c1-16-11-6-8(2-3-10(11)14)7-13-9-4-5-17-12(9)15/h2-3,6,9,13-14H,4-5,7H2,1H3/p+1/t9-/m0/s1