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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CN=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-3-27(25,26)20-22-13-19(24(20)15-17-8-5-4-6-9-17)16-23(2)14-18-10-7-11-21-12-18/h4-13H,3,14-16H2,1-2H3/p+1