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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20FN3O2S/c1-20(13-14-6-2-3-7-16(14)18)17-9-8-15(12-19-17)24(22,23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3/p+1