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

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Traditional Name: 1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4/c1-3-27-20-6-4-18(5-7-20)16-23-12-14-24(15-13-23)22(25)17-28-21-10-8-19(26-2)9-11-21/h4-11H,3,12-17H2,1-2H3/p+1