2-[7-(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)heptyl]isoindole-1,3-dione

Systemtic Name: 2-[7-(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)heptyl]isoindole-1,3-dione Openeye Name: 2-[7-(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)heptyl]isoindoline-1,3-dione CAS Name: 2-[7-(2,6-dimethyl-1-oxido-4-pyridin-1-iumyl)heptyl]isoindole-1,3-dione IUPAC Name: 2-[7-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)heptyl]isoindole-1,3-dione Traditional Name: 2-[7-(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)heptyl]isoindoline-1,3-quinone Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1[O-])C)CCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1[O-])C)CCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H26N2O3/c1-16-14-18(15-17(2)24(16)27)10-6-4-3-5-9-13-23-21(25)19-11-7-8-12-20(19)22(23)26/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3