N-[2-(4-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(4-fluorophenyl)ethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(4-fluorophenyl)ethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H21FN3O2S+ MolecularWeight: 350.430943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O2S/c18-15-5-3-14(4-6-15)9-10-19-17-8-7-16(13-20-17)24(22,23)21-11-1-2-12-21/h3-8,13H,1-2,9-12H2,(H,19,20)/p+1