2-[(1-phenethylpyridin-1-ium-4-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[(1-phenethyl-4-pyridin-1-iumyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[(1-phenethylpyridin-1-ium-4-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CC3=CC=[N+](C=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)CC3=CC=[N+](C=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)16-18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,11-12,14-15,19-20H,4-5,8-10,13,16H2/q+1