(3S)-3-methyl-1-(2-methyl-4-methylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-(2-methyl-4-methylsulfonyl-phenyl)piperazin-4-ium Openeye Name: (3S)-3-methyl-1-(2-methyl-4-methylsulfonyl-phenyl)piperazin-4-ium CAS Name: (3S)-3-methyl-1-(2-methyl-4-methylsulfonylphenyl)piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-(2-methyl-4-methylsulfonylphenyl)piperazin-4-ium Traditional Name: (3S)-1-(4-mesyl-2-methyl-phenyl)-3-methyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C13H20N2O2S/c1-10-8-12(18(3,16)17)4-5-13(10)15-7-6-14-11(2)9-15/h4-5,8,11,14H,6-7,9H2,1-3H3/p+1/t11-/m0/s1