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

Systemtic Name: (4-fluorophenyl)methyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (4-fluorophenyl)methyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: (4-fluorophenyl)methyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (4-fluorobenzyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C23H29FN3O2S+ MolecularWeight: 430.558663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2S/c1-18(2)30(28,29)23-25-15-22(27(23)14-13-19-7-5-4-6-8-19)17-26(3)16-20-9-11-21(24)12-10-20/h4-12,15,18H,13-14,16-17H2,1-3H3/p+1