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

Systemtic Name: 1-[4-ethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N4O2/c1-3-25-18-6-5-16(15(2)24)13-17(18)14-22-9-11-23(12-10-22)19-20-7-4-8-21-19/h4-8,13H,3,9-12,14H2,1-2H3/p+1