2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-methyl-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+](C)CC3=CC4=NON=C4C=C3

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+](C)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H27N5O4S/c1-3-9-30(26,27)20-21-11-16(25(20)14-17-5-4-8-28-17)13-24(2)12-15-6-7-18-19(10-15)23-29-22-18/h6-7,10-11,17H,3-5,8-9,12-14H2,1-2H3/p+1/t17-/m1/s1