2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-benzyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-benzyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-benzyl-6-methyl-1H-pyrimidin-4-one Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c1-22-26(21-23-11-5-2-6-12-23)28(34)31-29(30-22)33-19-17-32(18-20-33)27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,27H,17-21H2,1H3,(H,30,31,34)/p+1