(3aR,7aS)-2-(pyrrolidin-1-ium-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aR,7aS)-2-(pyrrolidin-1-ium-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aR,7aS)-2-(pyrrolidin-1-ium-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aR,7aS)-2-(1-pyrrolidin-1-iumylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aR,7aS)-2-(pyrrolidin-1-ium-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aR,7aS)-2-(pyrrolidin-1-ium-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

C1CC[NH+](C1)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O

InChI

InChI=1S/C13H18N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-14-7-3-4-8-14/h1-2,10-11H,3-9H2/p+1/t10-,11+