2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)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=C3C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

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