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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3CCCCO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C[C@H]3CCCCO3

InChI

InChI=1S/C20H29N3O3S/c1-3-27(24,25)20-21-13-18(23(20)14-17-9-5-4-6-10-17)15-22(2)16-19-11-7-8-12-26-19/h4-6,9-10,13,19H,3,7-8,11-12,14-16H2,1-2H3/p+1/t19-/m1/s1