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

Systemtic Name: 1-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperidin-1-ium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N3O3S/c1-29(26,27)22-23-15-20(25(22)17-21-8-5-13-28-21)16-24-11-9-19(10-12-24)14-18-6-3-2-4-7-18/h2-4,6-7,15,19,21H,5,8-14,16-17H2,1H3/p+1/t21-/m1/s1