2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile

Systemtic Name: 2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Openeye Name: 2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile CAS Name: 2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-hydroxy-2-methyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile IUPAC Name: 2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Traditional Name: 2-[(2R,3R,4S)-5-cyano-4-(4-fluorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]malononitrile Formula: C21H17FN5O+ MolecularWeight: 374.390983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)C(C#N)C#N)C#N)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](C(=C(N1)C(C#N)C#N)C#N)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C21H17FN5O/c1-21(28)20(27-9-3-2-4-10-27)18(14-5-7-16(22)8-6-14)17(13-25)19(26-21)15(11-23)12-24/h2-10,15,18,20,26,28H,1H3/q+1/t18-,20+,21+/m0/s1