methyl-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-phenethyl-azanium

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-phenethyl-azanium Openeye Name: [3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl-methyl-phenethyl-ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-[[(2R)-2-oxolanyl]methylsulfonyl]-4-imidazolyl]methyl]-phenethylammonium IUPAC Name: methyl-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-phenethylazanium Traditional Name: [3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl-methyl-phenethyl-ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2CCCO2)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C[C@H]2CCCO2)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3S/c1-18(2)15-25-20(16-24(3)12-11-19-8-5-4-6-9-19)14-23-22(25)29(26,27)17-21-10-7-13-28-21/h4-6,8-9,14,18,21H,7,10-13,15-17H2,1-3H3/p+1/t21-/m1/s1