cyclopropylmethyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: cyclopropylmethyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(cyclopropylmethyl)-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]ammonium CAS Name: cyclopropylmethyl-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(cyclopropylmethyl)-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: benzyl-(cyclopropylmethyl)-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](CC2CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](CC2CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2S/c1-16(2)12-23-19(11-21-20(23)26(3,24)25)15-22(14-18-9-10-18)13-17-7-5-4-6-8-17/h4-8,11,16,18H,9-10,12-15H2,1-3H3/p+1