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

Systemtic Name: methyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-phenethyl-azanium Openeye Name: methyl-phenethyl-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: methyl-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-phenethylammonium IUPAC Name: methyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]-phenethylazanium Traditional Name: methyl-phenethyl-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3S/c1-3-14-28(25,26)21-22-15-19(24(21)17-20-10-7-13-27-20)16-23(2)12-11-18-8-5-4-6-9-18/h4-6,8-9,15,20H,3,7,10-14,16-17H2,1-2H3/p+1/t20-/m1/s1