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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C22H27N3O3S/c1-3-29(27,28)22-23-14-20(25(22)15-18-10-6-4-7-11-18)16-24(2)17-21(26)19-12-8-5-9-13-19/h4-14,21,26H,3,15-17H2,1-2H3/p+1/t21-/m0/s1