5-[2-(cyclohexylamino)pyridin-1-ium-1-yl]carbonyl-2-(furan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[2-(cyclohexylamino)pyridin-1-ium-1-yl]carbonyl-2-(furan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-[2-(cyclohexylamino)pyridin-1-ium-1-carbonyl]-2-(2-furylmethyl)isoindoline-1,3-dione CAS Name: 5-[[2-(cyclohexylamino)-1-pyridin-1-iumyl]-oxomethyl]-2-(2-furanylmethyl)isoindole-1,3-dione IUPAC Name: 5-[2-(cyclohexylamino)pyridin-1-ium-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-[2-(cyclohexylamino)pyridin-1-ium-1-carbonyl]-2-(2-furfuryl)isoindoline-1,3-quinone Formula: C25H24N3O4+ MolecularWeight: 430.47576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

Isomeric SMILES

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

InChI

InChI=1S/C25H23N3O4/c29-23(27-13-5-4-10-22(27)26-18-7-2-1-3-8-18)17-11-12-20-21(15-17)25(31)28(24(20)30)16-19-9-6-14-32-19/h4-6,9-15,18H,1-3,7-8,16H2/p+1