[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium

Systemtic Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]-propargyl-ammonium Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2S/c1-5-11-23(12-6-2)15-18-13-22-20(27(25,26)16(3)4)24(18)14-17-9-7-8-10-19(17)21/h1,6-10,13,16H,2,11-12,14-15H2,3-4H3/p+1