N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(4-fluorophenyl)-2-[methyl-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C18H22FN4O3S+ MolecularWeight: 393.455683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21FN4O3S/c1-22(13-18(24)21-15-6-4-14(19)5-7-15)17-9-8-16(12-20-17)27(25,26)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,24)/p+1