but-2-ynyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: but-2-ynyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(furan-2-ylmethyl)azanium Openeye Name: but-2-ynyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-(2-furylmethyl)ammonium CAS Name: but-2-ynyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-(2-furanylmethyl)ammonium IUPAC Name: but-2-ynyl-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-(furan-2-ylmethyl)azanium Traditional Name: but-2-ynyl-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-(2-furfuryl)ammonium Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[NH+](CC1=CC=CO1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CC#CC[NH+](CC1=CC=CO1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C21H22FN3O3S/c1-3-4-11-24(16-19-9-7-12-28-19)15-18-13-23-21(29(2,26)27)25(18)14-17-8-5-6-10-20(17)22/h5-10,12-13H,11,14-16H2,1-2H3/p+1