(6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Openeye Name: (6R)-4-[[5-(hydroxymethyl)-2-furyl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one CAS Name: (6R)-4-[[5-(hydroxymethyl)-2-furanyl]methyl]-6-methyl-1-[2-(methylthio)phenyl]-2-piperazin-4-iumone IUPAC Name: (6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Traditional Name: (6R)-6-methyl-4-[(5-methylol-2-furyl)methyl]-1-[2-(methylthio)phenyl]piperazin-4-ium-2-one Formula: C18H23N2O3S+ MolecularWeight: 347.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=CC=C(O3)CO

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=CC=C(O3)CO

InChI

InChI=1S/C18H22N2O3S/c1-13-9-19(10-14-7-8-15(12-21)23-14)11-18(22)20(13)16-5-3-4-6-17(16)24-2/h3-8,13,21H,9-12H2,1-2H3/p+1/t13-/m1/s1