(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 11-pyridin-1-ium-1-ylundecanoate bromide

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 11-pyridin-1-ium-1-ylundecanoate bromide Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 11-pyridin-1-ium-1-ylundecanoate bromide CAS Name: 11-(1-pyridin-1-iumyl)undecanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester bromide IUPAC Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 11-pyridin-1-ium-1-ylundecanoate bromide Traditional Name: 11-pyridin-1-ium-1-ylundecanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester bromide Formula: C38H68BrNO4 MolecularWeight: 682.85482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCCCCCCC[N+]2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCCCCCCC[N+]2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C38H68NO4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21-25-30-38(2)42-35-36(43-38)34-41-37(40)29-24-20-17-14-16-19-22-26-31-39-32-27-23-28-33-39;/h23,27-28,32-33,36H,3-22,24-26,29-31,34-35H2,1-2H3;1H/q+1;/p-1