11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 5-oxidanylidenehexanoate

Systemtic Name: 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 5-oxidanylidenehexanoate Openeye Name: 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl 5-oxohexanoate CAS Name: 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 5-oxohexanoate Traditional Name: 5-ketohexanoic acid 11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl ester Formula: C39H64N2O4+2 MolecularWeight: 624.93646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H64N2O4/c1-36(42)22-21-23-39(43)45-35-20-16-12-8-4-6-10-14-18-29-41-32-26-38(27-33-41)37-24-30-40(31-25-37)28-17-13-9-5-3-7-11-15-19-34-44-2/h24-27,30-33H,3-23,28-29,34-35H2,1-2H3/q+2