cyclohexyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-propargyl-ammonium Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+](CC#C)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+](CC#C)C3CCCCC3

InChI

InChI=1S/C21H26FN3O2S/c1-3-13-24(18-10-5-4-6-11-18)16-19-14-23-21(28(2,26)27)25(19)15-17-9-7-8-12-20(17)22/h1,7-9,12,14,18H,4-6,10-11,13,15-16H2,2H3/p+1