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

Systemtic Name: 2-[1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]cyclopentyl]acetate Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C26H32N2O3/c29-23(19-26(20-24(30)31)13-7-8-14-26)27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,25H,7-8,13-20H2,(H,30,31)