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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O3/c1-17-6-4-5-7-19(17)16-23-10-12-24(13-11-23)22(25)15-18-8-9-20(26-2)21(14-18)27-3/h4-9,14H,10-13,15-16H2,1-3H3/p+1