1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(2-naphthylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(2-naphthalenylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(2-naphthylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C20H19F3N3O2S+ MolecularWeight: 422.44397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-6-8-19(24-14-17)25-9-11-26(12-10-25)29(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2/p+1