1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Traditional Name: 1-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

InChI

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