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

Systemtic Name: 2-(4-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methylphenoxy)-1-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-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=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

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

InChI

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