18-[4-(5-docosyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octadecyl 2-methylprop-2-enoate

Systemtic Name: 18-[4-(5-docosyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octadecyl 2-methylprop-2-enoate Openeye Name: 18-[4-(5-docosyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octadecyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 18-[4-(5-docosyl-1,3-dioxan-2-yl)-1-pyridin-1-iumyl]octadecyl ester IUPAC Name: 18-[4-(5-docosyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octadecyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 18-[4-(5-behenyl-1,3-dioxan-2-yl)pyridin-1-ium-1-yl]octadecyl ester Formula: C53H96NO4+ MolecularWeight: 811.33364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1COC(OC1)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1COC(OC1)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C53H96NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40-50-47-57-53(58-48-50)51-41-44-54(45-42-51)43-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39-46-56-52(55)49(2)3/h41-42,44-45,50,53H,2,4-40,43,46-48H2,1,3H3/q+1