2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H23N3O2/c1-16-5-4-7-18(13-16)24-15-19(23)22-11-9-21(10-12-22)14-17-6-2-3-8-20-17/h2-8,13H,9-12,14-15H2,1H3/p+1