2-[[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoyl]amino]ethanoate

Systemtic Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoyl]amino]ethanoate Openeye Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetyl]amino]acetate CAS Name: 2-[[(2R)-2-(1-azepan-1-iumyl)-1-oxo-2-phenylethyl]amino]acetate IUPAC Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-2-phenylacetyl]amino]acetate Traditional Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetyl]amino]acetate Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c19-14(20)12-17-16(21)15(13-8-4-3-5-9-13)18-10-6-1-2-7-11-18/h3-5,8-9,15H,1-2,6-7,10-12H2,(H,17,21)(H,19,20)/t15-/m1/s1