2-cyclopentyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone chloride

Systemtic Name: 2-cyclopentyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-2-phenyl-ethanone chloride CAS Name: 2-cyclopentyl-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-2-phenylethanone chloride Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-2-phenyl-ethanone chloride Formula: C24H31ClN2O MolecularWeight: 398.96874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H30N2O.ClH/c27-24(23(22-13-7-8-14-22)21-11-5-2-6-12-21)26-17-15-25(16-18-26)19-20-9-3-1-4-10-20;/h1-6,9-12,22-23H,7-8,13-19H2;1H