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

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C22H28F3N5O3S+2 MolecularWeight: 499.54963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H26F3N5O3S/c23-22(24,25)17-6-7-20(26-15-17)29-12-10-28(11-13-29)16-21(31)27-18-4-3-5-19(14-18)34(32,33)30-8-1-2-9-30/h3-7,14-15H,1-2,8-13,16H2,(H,27,31)/p+2