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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-17-6-5-7-18(14-17)15-21-10-12-22(13-11-21)20(23)16-24-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3/p+1