2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylphenoxy)ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2/c1-17-12-18(2)14-20(13-17)25-16-21(24)23-10-8-22(9-11-23)15-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3/p+1