2-[1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(2,2-diphenylethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2,2-diphenylethyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c23-19(24)13-18-20(25)21-11-12-22(18)14-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,25)(H,23,24)