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

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

Isomeric SMILES

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

InChI

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