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

Systemtic Name: 2-[1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]cyclopentyl]acetate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H28N2O3/c23-18(14-20(15-19(24)25)8-4-5-9-20)22-12-10-21(11-13-22)16-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H,24,25)