(2R)-2-(azocan-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-(1-azocan-1-iumyl)-2-phenylacetate IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-2-phenyl-acetate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CCC1)[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c17-15(18)14(13-9-5-4-6-10-13)16-11-7-2-1-3-8-12-16/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,17,18)/t14-/m1/s1