2-oxidanidyl-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-dione

Systemtic Name: 2-oxidanidyl-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-dione Openeye Name: 2-benzyl-2-oxido-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-dione CAS Name: 2-oxido-2-(phenylmethyl)-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-dione IUPAC Name: 2-benzyl-2-oxido-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-dione Traditional Name: 2-benzyl-2-oxido-3,3a,4,6,7,7a-hexahydroisoindol-2-ium-1,5-quinone Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC2C1C(=O)[N+](C2)(CC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC(=O)CC2C1C(=O)[N+](C2)(CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H17NO3/c17-13-6-7-14-12(8-13)10-16(19,15(14)18)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2