(3-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: [3-(1-pyrrolidinylsulfonyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (3-pyrrolidinosulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C21H24F3N4O3S+ MolecularWeight: 469.50047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c22-21(23,24)17-6-7-19(25-15-17)26-10-12-27(13-11-26)20(29)16-4-3-5-18(14-16)32(30,31)28-8-1-2-9-28/h3-7,14-15H,1-2,8-13H2/p+1