(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) (E)-octadec-9-enoate

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) (E)-octadec-9-enoate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C28H54NO2+ MolecularWeight: 436.73386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O[N+]1(C(CCCC1(C)C)(C)C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[N+]1(C(CCCC1(C)C)(C)C)C

InChI

InChI=1S/C28H54NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(30)31-29(6)27(2,3)24-22-25-28(29,4)5/h14-15H,7-13,16-25H2,1-6H3/q+1/b15-14+