1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Formula: C17H18ClF3N3O2S+ MolecularWeight: 420.85693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3O2S/c18-14-3-5-15(6-4-14)27(25,26)24-9-1-8-23(10-11-24)16-7-2-13(12-22-16)17(19,20)21/h2-7,12H,1,8-11H2/p+1