3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propyl-triphenyl-phosphanium chloride

Systemtic Name: 3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propyl-triphenyl-phosphanium chloride Openeye Name: 3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propyl-triphenyl-phosphonium chloride CAS Name: 3-[4-(2,6-ditert-butyl-4-pyrimidinyl)-1-piperazinyl]propyl-triphenylphosphonium chloride IUPAC Name: 3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propyl-triphenylphosphanium chloride Traditional Name: 3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazino]propyl-triphenyl-phosphonium chloride Formula: C37H48ClN4P MolecularWeight: 615.230581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C37H48N4P.ClH/c1-36(2,3)33-29-34(39-35(38-33)37(4,5)6)41-26-24-40(25-27-41)23-16-28-42(30-17-10-7-11-18-30,31-19-12-8-13-20-31)32-21-14-9-15-22-32;/h7-15,17-22,29H,16,23-28H2,1-6H3;1H/q+1;/p-1