11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 3,3-dimethyl-5-oxo-hexanoate CAS Name: 3,3-dimethyl-5-oxohexanoic acid 11-[4-[1-(11-methoxyundecyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]undecyl ester IUPAC Name: 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 3,3-dimethyl-5-oxohexanoate Traditional Name: 5-keto-3,3-dimethyl-hexanoic acid 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl ester Formula: C41H68N2O4+2 MolecularWeight: 652.98962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)CC(=O)OCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCOC

Isomeric SMILES

CC(=O)CC(C)(C)CC(=O)OCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCOC

InChI

InChI=1S/C41H68N2O4/c1-37(44)35-41(2,3)36-40(45)47-34-22-18-14-10-6-8-12-16-20-28-43-31-25-39(26-32-43)38-23-29-42(30-24-38)27-19-15-11-7-5-9-13-17-21-33-46-4/h23-26,29-32H,5-22,27-28,33-36H2,1-4H3/q+2