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

Systemtic Name: 4-[(2S,4R,8S)-4-methyl-2,5-bis(oxidanyl)-7-oxidanylidene-6-phenyl-2,3-dihydro-1H-pyrrolizin-4-ium-8-yl]benzenecarbonitrile Openeye Name: 4-[(2S,4R,8S)-2,5-dihydroxy-4-methyl-7-oxo-6-phenyl-2,3-dihydro-1H-pyrrolizin-4-ium-8-yl]benzonitrile CAS Name: 4-[(2S,4R,8S)-2,5-dihydroxy-4-methyl-7-oxo-6-phenyl-2,3-dihydro-1H-pyrrolizin-4-ium-8-yl]benzonitrile IUPAC Name: 4-[(2S,4R,8S)-2,5-dihydroxy-4-methyl-7-oxo-6-phenyl-2,3-dihydro-1H-pyrrolizin-4-ium-8-yl]benzonitrile Traditional Name: 4-[(2S,4R,8S)-2,5-dihydroxy-7-keto-4-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-4-ium-8-yl]benzonitrile Formula: C21H19N2O3+ MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CC(CC1(C(=O)C(=C2O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)O

Isomeric SMILES

C[N@@+]12C[C@H](C[C@@]1(C(=O)C(=C2O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C21H18N2O3/c1-23-13-17(24)11-21(23,16-9-7-14(12-22)8-10-16)19(25)18(20(23)26)15-5-3-2-4-6-15/h2-10,17,24H,11,13H2,1H3/p+1/t17-,21-,23-/m0/s1