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

Systemtic Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl-(furan-2-ylmethyl)-prop-2-ynyl-azanium Openeye Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl-(2-furylmethyl)-prop-2-ynyl-ammonium CAS Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl-(2-furanylmethyl)-prop-2-ynylammonium IUPAC Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl-(furan-2-ylmethyl)-prop-2-ynylazanium Traditional Name: [3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl-(2-furfuryl)-propargyl-ammonium Formula: C20H21FN3O3S+ MolecularWeight: 402.462443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+](CC#C)CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+](CC#C)CC3=CC=CO3

InChI

InChI=1S/C20H20FN3O3S/c1-3-10-23(15-18-8-6-11-27-18)14-17-12-22-20(28(2,25)26)24(17)13-16-7-4-5-9-19(16)21/h1,4-9,11-12H,10,13-15H2,2H3/p+1