ethyl-(2-methylprop-2-enyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: ethyl-(2-methylprop-2-enyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(2-methylallyl)ammonium CAS Name: ethyl-(2-methylprop-2-enyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(2-methylallyl)ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2)CC(=C)C

Isomeric SMILES

CC[NH+](CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2)CC(=C)C

InChI

InChI=1S/C21H31N3O2S/c1-6-23(13-17(2)3)15-20-12-22-21(24(20)14-18(4)5)27(25,26)16-19-10-8-7-9-11-19/h7-12,18H,2,6,13-16H2,1,3-5H3/p+1