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

Systemtic Name: (4-acetamidophenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CCOC2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@H]2CCOC2=O

InChI

InChI=1S/C13H16N2O3/c1-9(16)15-11-4-2-10(3-5-11)8-14-12-6-7-18-13(12)17/h2-5,12,14H,6-8H2,1H3,(H,15,16)/p+1/t12-/m0/s1