ethyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: ethyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: ethyl-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-ethyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCCO1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+](C[C@H]1CCCO1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C20H29N3O3S/c1-3-22(16-19-11-8-12-26-19)15-18-13-21-20(27(24,25)4-2)23(18)14-17-9-6-5-7-10-17/h5-7,9-10,13,19H,3-4,8,11-12,14-16H2,1-2H3/p+1/t19-/m1/s1