1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(2,3,5-trimethylphenoxy)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(2,3,5-trimethylphenoxy)ethanone Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

InChI

InChI=1S/C20H25N3O2/c1-15-12-16(2)17(3)18(13-15)25-14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3/p+1