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

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]acetate CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]acetate IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethoxy]acetate Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethoxy]acetate Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c24-19(15-27-16-20(25)26)22-11-13-23(14-12-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,21H,11-16H2,(H,25,26)