(6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-4-ium-2-one Openeye Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-4-ium-2-one CAS Name: (6R)-6-methyl-1-[2-(methylthio)phenyl]-4-(1H-pyrazol-4-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (6R)-6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-4-ium-2-one Traditional Name: (6R)-6-methyl-1-[2-(methylthio)phenyl]-4-(1H-pyrazol-4-ylmethyl)piperazin-4-ium-2-one Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS/c1-12-9-19(10-13-7-17-18-8-13)11-16(21)20(12)14-5-3-4-6-15(14)22-2/h3-8,12H,9-11H2,1-2H3,(H,17,18)/p+1/t12-/m1/s1