6-azanyl-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-methoxy-5-[3-(trifluoromethyl)phenyl]sulfonyl-pyridin-1-ium-3-carbonitrile Formula: C14H11F3N3O3S+ MolecularWeight: 358.31565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C(=C(C=C1C#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

COC1=[NH+]C(=C(C=C1C#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C14H10F3N3O3S/c1-23-13-8(7-18)5-11(12(19)20-13)24(21,22)10-4-2-3-9(6-10)14(15,16)17/h2-6H,1H3,(H2,19,20)/p+1