3-(3-ethoxy-4-fluoranyl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: 3-(3-ethoxy-4-fluoranyl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(3-ethoxy-4-fluoro-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(3-ethoxy-4-fluorophenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(3-ethoxy-4-fluoro-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C18H20FN2O3S+ MolecularWeight: 363.426403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)F

InChI

InChI=1S/C18H19FN2O3S/c1-2-24-17-13-15(8-9-16(17)19)25(22,23)21-11-10-20-18(21)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3/p+1