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

Systemtic Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[ethyl-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[ethyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[ethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]-N-(4-fluorobenzyl)acetamide Formula: C20H26FN4O3S+ MolecularWeight: 421.508843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25FN4O3S/c1-2-24(15-20(26)23-13-16-5-7-17(21)8-6-16)19-10-9-18(14-22-19)29(27,28)25-11-3-4-12-25/h5-10,14H,2-4,11-13,15H2,1H3,(H,23,26)/p+1