[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl-methyl-phenethyl-azanium

Systemtic Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl-methyl-phenethyl-azanium Openeye Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl-methyl-phenethyl-ammonium CAS Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl-methyl-phenethylammonium IUPAC Name: [3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl-methyl-phenethylazanium Traditional Name: [3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl-methyl-phenethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C21H24FN3O2S/c1-24(13-12-17-8-4-3-5-9-17)16-19-14-23-21(28(2,26)27)25(19)15-18-10-6-7-11-20(18)22/h3-11,14H,12-13,15-16H2,1-2H3/p+1