ethyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C20H23FN4O2S/c1-3-24(13-16-8-10-22-11-9-16)15-18-12-23-20(28(2,26)27)25(18)14-17-6-4-5-7-19(17)21/h4-12H,3,13-15H2,1-2H3/p+1