2-oxidanylidene-2-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-oxo-2-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]acetate IUPAC Name: 2-oxo-2-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]acetate Traditional Name: 2-keto-2-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]acetate Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)[NH+]2CCN(CC2)C(=O)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C(=O)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-12(2)14-4-6-15(7-5-14)13(3)18-8-10-19(11-9-18)16(20)17(21)22/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)/t13-/m0/s1