(2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile

Systemtic Name: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile Openeye Name: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile CAS Name: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile IUPAC Name: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile Traditional Name: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3,4,10b-tetrahydropyrrol[2,1-a]isoquinolin-4-ium-1,1-dicarbonitrile Formula: C28H23N4O2+ MolecularWeight: 447.50782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(C(C3[NH+]2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]2[C@@H](C([C@H]3[NH+]2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H22N4O2/c1-18-10-11-23(19(2)14-18)26-25(21-7-5-8-22(15-21)32(33)34)28(16-29,17-30)27-24-9-4-3-6-20(24)12-13-31(26)27/h3-15,25-27H,1-2H3/p+1/t25-,26-,27-/m0/s1