1H-benzimidazol-2-ylmethyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-methylazanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N5O2S/c1-3-30(28,29)22-23-13-18(27(22)14-17-9-5-4-6-10-17)15-26(2)16-21-24-19-11-7-8-12-20(19)25-21/h4-13H,3,14-16H2,1-2H3,(H,24,25)/p+1