4-[[(4R,8R)-5-oxidanyl-2,7-bis(oxidanylidene)-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4R,8R)-5-oxidanyl-2,7-bis(oxidanylidene)-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(4R,8R)-5-hydroxy-2,7-dioxo-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzonitrile CAS Name: 4-[[(4R,8R)-5-hydroxy-2,7-dioxo-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzonitrile IUPAC Name: 4-[[(4R,8R)-5-hydroxy-2,7-dioxo-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzonitrile Traditional Name: 4-[[(4R,8R)-5-hydroxy-2,7-diketo-6-phenyl-3,8-dihydro-1H-pyrrolizin-4-ium-4-yl]methyl]benzonitrile Formula: C21H17N2O3+ MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=O)C(=C([N+]2(CC1=O)CC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2C(=O)C(=C([N@@+]2(CC1=O)CC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3/c22-11-14-6-8-15(9-7-14)12-23-13-17(24)10-18(23)20(25)19(21(23)26)16-4-2-1-3-5-16/h1-9,18H,10,12-13H2/p+1/t18-,23-/m1/s1