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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-16-4-2-3-5-17(16)14-22-10-12-23(13-11-22)20(24)15-25-19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3/p+1