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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C29H31N4OS+ MolecularWeight: 483.64764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4OS/c1-22-12-14-26(15-13-22)35-21-25-20-27(34)31-29(30-25)33-18-16-32(17-19-33)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,28H,16-19,21H2,1H3,(H,30,31,34)/p+1