(2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenyl-ethanoate Openeye Name: (2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenylacetate IUPAC Name: (2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-2-phenyl-acetate Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-15-8-5-9-16(11-10-15)13(14(17)18)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)/p+1/t13-/m1/s1