methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(3-thenyl)ammonium Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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+](C)CC3=CSC=C3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-17(2)16-28(25,26)21-22-11-20(14-23(3)12-19-9-10-27-15-19)24(21)13-18-7-5-4-6-8-18/h4-11,15,17H,12-14,16H2,1-3H3/p+1