4-[(3aS,4R,8aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Systemtic Name: 4-[(3aS,4R,8aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Openeye Name: 4-[(3aS,4R,8aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine CAS Name: 4-[(3aS,4R,8aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide IUPAC Name: 4-[(3aS,4R,8aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Traditional Name: 4-[(3aS,4R,8aS,8bS)-3-keto-2-piperonyl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3CN(C(=O)C3C(N2C1)C4=CC=C(C=C4)C(=N)N)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@H]2[C@@H]3CN(C(=O)[C@@H]3[C@@H](N2C1)C4=CC=C(C=C4)C(=N)N)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H26N4O3/c25-23(26)16-6-4-15(5-7-16)22-21-17(18-2-1-9-28(18)22)12-27(24(21)29)11-14-3-8-19-20(10-14)31-13-30-19/h3-8,10,17-18,21-22H,1-2,9,11-13H2,(H3,25,26)/t17-,18-,21-,22-/m0/s1