(6R)-6-methyl-4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-6-methyl-4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Openeye Name: (6R)-4-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one CAS Name: (6R)-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-6-methyl-1-[2-(methylthio)phenyl]-2-piperazin-4-iumone IUPAC Name: (6R)-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Traditional Name: (6R)-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-6-methyl-1-[2-(methylthio)phenyl]piperazin-4-ium-2-one Formula: C24H29N2O2S+ MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2S/c1-18-15-25(16-20-11-9-19(10-12-20)13-14-24(2,3)28)17-23(27)26(18)21-7-5-6-8-22(21)29-4/h5-12,18,28H,15-17H2,1-4H3/p+1/t18-/m1/s1