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

Systemtic Name: 2-(4-methylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethanone CAS Name: 2-(4-methylphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylphenyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethanone Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-17-7-9-18(10-8-17)15-20(23)22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1