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

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(4-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=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

InChI

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