3,3-dimethyl-4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 3,3-dimethyl-4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 3,3-dimethyl-4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 3,3-dimethyl-4-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 3,3-dimethyl-4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 3,3-dimethyl-4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCNC(=O)C3(C)C

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCNC(=O)C3(C)C

InChI

InChI=1S/C18H30N4O4S/c1-4-10-27(24,25)17-20-11-14(22(17)13-15-6-5-9-26-15)12-21-8-7-19-16(23)18(21,2)3/h11,15H,4-10,12-13H2,1-3H3,(H,19,23)/p+1/t15-/m1/s1