[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl]azanium benzoate

Systemtic Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl]azanium benzoate Openeye Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl]ammonium benzoate CAS Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]ammonium benzoate IUPAC Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]azanium benzoate Traditional Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl]ammonium benzoate Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CO)[NH3+])C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1(OC[C@H](O1)[C@H](CO)[NH3+])C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H15NO3.C7H6O2/c1-7(2)10-4-6(11-7)5(8)3-9;8-7(9)6-4-2-1-3-5-6/h5-6,9H,3-4,8H2,1-2H3;1-5H,(H,8,9)/t5-,6-;/m0./s1