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

Systemtic Name: (2R,3R,4S)-6-(2-azanylidene-1-cyano-ethenyl)-2-methyl-2-oxidanyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-6-(1-cyano-2-imino-vinyl)-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-6-(1-cyano-2-iminoethenyl)-2-hydroxy-2-methyl-4-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-6-(1-cyano-2-iminoethenyl)-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-6-(1-cyano-2-imino-vinyl)-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H18N5O+ MolecularWeight: 356.40052

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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=CC=C2)[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=CC=C2)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C21H18N5O/c1-21(27)20(26-10-6-3-7-11-26)18(15-8-4-2-5-9-15)17(14-24)19(25-21)16(12-22)13-23/h2-11,18,20,22,25,27H,1H3/q+1/t18-,20+,21+/m0/s1