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

Systemtic Name: 2-ethoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-ethoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-ethoxy-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-ethoxy-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C17H22N4O2/c1-2-23-16-12-14(4-5-15(16)22)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12,22H,2,8-11,13H2,1H3/p+1