2-hydroxyethyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c1-2-13-29(26,27)21-22-14-19(24(21)17-20-9-6-12-28-20)16-23(10-11-25)15-18-7-4-3-5-8-18/h3-5,7-8,14,20,25H,2,6,9-13,15-17H2,1H3/p+1/t20-/m1/s1