(3aS,7aS)-2-(piperidin-1-ium-1-ylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-2-(piperidin-1-ium-1-ylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-(piperidin-1-ium-1-ylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-(1-piperidin-1-iumylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-(piperidin-1-ium-1-ylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-(piperidin-1-ium-1-ylmethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C3CCCCC3C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O

InChI

InChI=1S/C14H22N2O2/c17-13-11-6-2-3-7-12(11)14(18)16(13)10-15-8-4-1-5-9-15/h11-12H,1-10H2/p+1/t11-,12-/m0/s1