(2,4-dimethylphenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C13H18NO2+ MolecularWeight: 220.28752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-9-3-4-11(10(2)7-9)8-14-12-5-6-16-13(12)15/h3-4,7,12,14H,5-6,8H2,1-2H3/p+1/t12-/m0/s1