4-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCSCC3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C19H27N3O2S2/c1-16(2)15-26(23,24)19-20-12-18(14-21-8-10-25-11-9-21)22(19)13-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13-15H2,1-2H3/p+1