[C-[4-[(1R,3aS,4R,8aS,8bR)-2-(diphenylmethyl)-3-oxidanylidene-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl]carbonimidoyl]azanium chloride

Systemtic Name: [C-[4-[(1R,3aS,4R,8aS,8bR)-2-(diphenylmethyl)-3-oxidanylidene-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl]carbonimidoyl]azanium chloride Openeye Name: [4-[(1R,3aS,4R,8aS,8bR)-2-benzhydryl-1-isopropyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidoyl]ammonium chloride CAS Name: [[4-[(1R,3aS,4R,8aS,8bR)-2-(diphenylmethyl)-3-oxo-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl]-iminomethyl]ammonium chloride IUPAC Name: [4-[(1R,3aS,4R,8aS,8bR)-2-benzhydryl-3-oxo-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidoyl]azanium chloride Traditional Name: [4-[(1R,3aS,4R,8aS,8bR)-2-benzhydryl-1-isopropyl-3-keto-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzimidoyl]ammonium chloride Formula: C32H37ClN4O MolecularWeight: 529.11538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C3CCCN3C(C2C(=O)N1C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C(=N)[NH3+].[Cl-]

Isomeric SMILES

CC(C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C(=N)[NH3+].[Cl-]

InChI

InChI=1S/C32H36N4O.ClH/c1-20(2)28-26-25-14-9-19-35(25)30(23-15-17-24(18-16-23)31(33)34)27(26)32(37)36(28)29(21-10-5-3-6-11-21)22-12-7-4-8-13-22;/h3-8,10-13,15-18,20,25-30H,9,14,19H2,1-2H3,(H3,33,34);1H/t25-,26-,27-,28+,30-;/m0./s1