2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-pyrimidin-2-yl]phenolate

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-pyrimidin-2-yl]phenolate Openeye Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]phenolate CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-2-pyrimidinyl]phenolate IUPAC Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]phenolate Traditional Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]phenolate Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-21-20-26(30-28(29-21)24-14-8-9-15-25(24)33)31-16-18-32(19-17-31)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20,27,33H,16-19H2,1H3