ethyl 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H33N4O5S+ MolecularWeight: 429.55412

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H32N4O5S/c1-3-12-29(25,26)18-20-13-16(23(18)15-17-6-5-11-28-17)14-21-7-9-22(10-8-21)19(24)27-4-2/h13,17H,3-12,14-15H2,1-2H3/p+1/t17-/m1/s1