1-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium

Systemtic Name: 1-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]azocan-1-ium Formula: C17H30N3O3S+ MolecularWeight: 356.5034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H29N3O3S/c1-24(21,22)17-18-12-15(20(17)14-16-8-7-11-23-16)13-19-9-5-3-2-4-6-10-19/h12,16H,2-11,13-14H2,1H3/p+1/t16-/m1/s1