(3S,4R,5R,6R)-2-(2-azanylidene-1-cyano-ethenyl)-4-(4-fluorophenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-3-carbonitrile

Systemtic Name: (3S,4R,5R,6R)-2-(2-azanylidene-1-cyano-ethenyl)-4-(4-fluorophenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-3-carbonitrile Openeye Name: (3S,4R,5R,6R)-2-(1-cyano-2-imino-vinyl)-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-3-carbonitrile CAS Name: (3S,4R,5R,6R)-2-(1-cyano-2-iminoethenyl)-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-(1-pyridin-1-iumyl)-4,5-dihydro-3H-pyridine-3-carbonitrile IUPAC Name: (3S,4R,5R,6R)-2-(1-cyano-2-iminoethenyl)-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-3-carbonitrile Traditional Name: (3S,4R,5R,6R)-2-(1-cyano-2-imino-vinyl)-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-3-carbonitrile 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@@H](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/h2-10,17-18,20,23,28H,1H3/q+1/t17-,18-,20+,21+/m0/s1