2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoacetate IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoacetate Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-acetate Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)[O-]

InChI

InChI=1S/C19H20N2O3/c22-18(19(23)24)21-13-11-20(12-14-21)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,23,24)