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

Systemtic Name: 4-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-(3-pyridyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-(3-pyridinyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-(3-pyridyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c26-19-5-4-16(17-3-1-6-21-14-17)13-18(19)15-24-9-11-25(12-10-24)20-22-7-2-8-23-20/h1-8,13-14,26H,9-12,15H2/p+1