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

Systemtic Name: 2-[4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C20H31N6O3S+ MolecularWeight: 435.56354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H30N6O3S/c1-2-13-30(27,28)20-23-14-17(26(20)16-18-5-3-12-29-18)15-24-8-10-25(11-9-24)19-21-6-4-7-22-19/h4,6-7,14,18H,2-3,5,8-13,15-16H2,1H3/p+1/t18-/m1/s1