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

Systemtic Name: 2-[(2S,3S,4S)-4-(4-chlorophenyl)-5-cyano-2-cyclopropyl-2-oxidanyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Openeye Name: 2-[(2S,3S,4S)-4-(4-chlorophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile CAS Name: 2-[(2S,3S,4S)-4-(4-chlorophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile IUPAC Name: 2-[(2S,3S,4S)-4-(4-chlorophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Traditional Name: 2-[(2S,3S,4S)-4-(4-chlorophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]malononitrile Formula: C23H19ClN5O+ MolecularWeight: 416.88286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C(C(C(=C(N2)C(C#N)C#N)C#N)C3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4)O

Isomeric SMILES

C1CC1[C@@]2([C@H]([C@H](C(=C(N2)C(C#N)C#N)C#N)C3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4)O

InChI

InChI=1S/C23H19ClN5O/c24-18-8-4-15(5-9-18)20-19(14-27)21(16(12-25)13-26)28-23(30,17-6-7-17)22(20)29-10-2-1-3-11-29/h1-5,8-11,16-17,20,22,28,30H,6-7H2/q+1/t20-,22-,23-/m0/s1