[(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-propyl] ethanoate

Systemtic Name: [(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-propyl] ethanoate Openeye Name: [(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-propyl] acetate CAS Name: acetic acid [(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylpropyl] acetate Traditional Name: acetic acid [(1R,2S)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-propyl] ester Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=[N+]1C(C)C(C2=CC=CC=C2)OC(=O)C)C

Isomeric SMILES

CC1=NN(C=[N+]1[C@@H](C)[C@@H](C2=CC=CC=C2)OC(=O)C)C

InChI

InChI=1S/C15H20N3O2/c1-11(18-10-17(4)16-12(18)2)15(20-13(3)19)14-8-6-5-7-9-14/h5-11,15H,1-4H3/q+1/t11-,15-/m0/s1