1-[4-methoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-14(23)15-4-5-17(24-2)16(12-15)13-21-8-10-22(11-9-21)18-19-6-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3/p+1