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

Systemtic Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-19-6-8-20(9-7-19)16-23-12-14-24(15-13-23)22(25)17-26-21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3/p+1