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

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C15H19N4O+ MolecularWeight: 271.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2O)C3=NC=CC=N3

InChI

InChI=1S/C15H18N4O/c20-14-5-2-1-4-13(14)12-18-8-10-19(11-9-18)15-16-6-3-7-17-15/h1-7,20H,8-12H2/p+1