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

Systemtic Name: 5-methyl-4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C19H26N4O/c1-14(2)17-12-16(18(24)11-15(17)3)13-22-7-9-23(10-8-22)19-20-5-4-6-21-19/h4-6,11-12,14,24H,7-10,13H2,1-3H3/p+1