(6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (6R)-6-methyl-1-[2-(methylthio)phenyl]-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2-piperazin-4-iumone IUPAC Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (6R)-6-methyl-1-[2-(methylthio)phenyl]-4-[4-(2-pyrimidyloxy)benzyl]piperazin-4-ium-2-one Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C23H24N4O2S/c1-17-14-26(16-22(28)27(17)20-6-3-4-7-21(20)30-2)15-18-8-10-19(11-9-18)29-23-24-12-5-13-25-23/h3-13,17H,14-16H2,1-2H3/p+1/t17-/m1/s1