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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-phenethyl-azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-phenethylammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-phenethylazanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-3-28(26,27)22-23-16-21(25(22)17-20-12-8-5-9-13-20)18-24(2)15-14-19-10-6-4-7-11-19/h4-13,16H,3,14-15,17-18H2,1-2H3/p+1