cyclohexyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-cyclohexyl-methylazanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-cyclohexyl-methyl-ammonium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)C3CCCCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-18(2)15-25-21(16-24(3)20-12-8-5-9-13-20)14-23-22(25)28(26,27)17-19-10-6-4-7-11-19/h4,6-7,10-11,14,18,20H,5,8-9,12-13,15-17H2,1-3H3/p+1