3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 3-[[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=C2)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)C3=NC=CC=N3

InChI

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