2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-dimethyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2,6-dimethyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

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