2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-methoxy-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H20N4O2/c1-22-14-5-2-4-13(15(14)21)12-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,21H,8-12H2,1H3/p+1