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

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(4-fluorophenyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (4-fluorobenzyl)-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN3O2S/c17-14-5-3-13(4-6-14)11-18-16-8-7-15(12-19-16)23(21,22)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,18,19)/p+1