2-(3-methylphenoxy)-1-(4-phenethylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-(4-phenethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(3-methylphenoxy)-1-(4-phenethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(3-methylphenoxy)-1-(4-phenethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-methylphenoxy)-1-(4-phenethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(3-methylphenoxy)-1-(4-phenethylpiperazin-4-ium-1-yl)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)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-18-6-5-9-20(16-18)25-17-21(24)23-14-12-22(13-15-23)11-10-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3/p+1