1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-(3-methylphenoxy)ethanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H33N3O3/c1-20-6-5-7-22(18-20)31-19-25(29)28-12-10-21(11-13-28)26-14-16-27(17-15-26)23-8-3-4-9-24(23)30-2/h3-9,18,21H,10-17,19H2,1-2H3/p+1