2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-methoxy-5-[[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=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

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