N-(1-sulfonylpiperidin-1-ium-3-yl)-1H-indazol-5-amine; trifluoromethylbenzene

Systemtic Name: N-(1-sulfonylpiperidin-1-ium-3-yl)-1H-indazol-5-amine; trifluoromethylbenzene Openeye Name: N-(1-sulfonylpiperidin-1-ium-3-yl)-1H-indazol-5-amine; trifluoromethylbenzene CAS Name: N-(1-sulfonyl-3-piperidin-1-iumyl)-1H-indazol-5-amine; trifluoromethylbenzene IUPAC Name: N-(1-sulfonylpiperidin-1-ium-3-yl)-1H-indazol-5-amine; trifluoromethylbenzene Traditional Name: 1H-indazol-5-yl-(1-sulfonylpiperidin-1-ium-3-yl)amine; trifluoromethylbenzene Formula: C19H20F3N4O2S+ MolecularWeight: 425.44791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](=S(=O)=O)C1)NC2=CC3=C(C=C2)NN=C3.C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

C1CC(C[N+](=S(=O)=O)C1)NC2=CC3=C(C=C2)NN=C3.C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H15N4O2S.C7H5F3/c17-19(18)16-5-1-2-11(8-16)14-10-3-4-12-9(6-10)7-13-15-12;8-7(9,10)6-4-2-1-3-5-6/h3-4,6-7,11,14H,1-2,5,8H2,(H,13,15);1-5H/q+1;