2-(3,4-dimethylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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