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

Systemtic Name: 4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-phenyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC=CC=C3)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC=CC=C3)O)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O/c26-20-8-7-18(17-5-2-1-3-6-17)15-19(20)16-24-11-13-25(14-12-24)21-22-9-4-10-23-21/h1-10,15,26H,11-14,16H2/p+1