1-[4-methoxy-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O2/c1-16(24)17-6-7-20(25-2)18(13-17)14-22-9-11-23(12-10-22)15-19-5-3-4-8-21-19/h3-8,13H,9-12,14-15H2,1-2H3/p+1