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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C30H33N4O+ MolecularWeight: 465.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H32N4O/c1-22-13-15-24(16-14-22)21-27-23(2)31-30(32-29(27)35)34-19-17-33(18-20-34)28(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,28H,17-21H2,1-2H3,(H,31,32,35)/p+1