(6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Openeye Name: (6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one CAS Name: (6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-[2-(methylthio)phenyl]-2-piperazin-4-iumone IUPAC Name: (6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-4-ium-2-one Traditional Name: (6R)-4-(1,3-benzodioxol-4-ylmethyl)-6-methyl-1-[2-(methylthio)phenyl]piperazin-4-ium-2-one Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC=CC=C2SC)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H22N2O3S/c1-14-10-21(11-15-6-5-8-17-20(15)25-13-24-17)12-19(23)22(14)16-7-3-4-9-18(16)26-2/h3-9,14H,10-13H2,1-2H3/p+1/t14-/m1/s1