N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalene-2-sulfonamide

Systemtic Name: N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalene-2-sulfonamide Openeye Name: N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalene-2-sulfonamide CAS Name: N-methyl-N-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenesulfonamide IUPAC Name: N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalene-2-sulfonamide Traditional Name: N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalene-2-sulfonamide Formula: C22H25F3N4O2S+2 MolecularWeight: 466.51971

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Descriptors Computed from Structure

Canonical SMILES:

CN(C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23F3N4O2S/c1-27(32(30,31)20-8-6-17-4-2-3-5-18(17)14-20)16-28-10-12-29(13-11-28)21-9-7-19(15-26-21)22(23,24)25/h2-9,14-15H,10-13,16H2,1H3/p+2