2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-pyrimidin-5-yl-phenol

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-pyrimidin-5-yl-phenol Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-pyrimidin-5-yl-phenol CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-4-(5-pyrimidinyl)phenol IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-pyrimidin-5-ylphenol Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-(5-pyrimidyl)phenol Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C3=CN=CN=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C3=CN=CN=C3)O

InChI

InChI=1S/C17H22N4O/c1-2-20-5-7-21(8-6-20)12-15-9-14(3-4-17(15)22)16-10-18-13-19-11-16/h3-4,9-11,13,22H,2,5-8,12H2,1H3/p+1