(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide

Systemtic Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide Openeye Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl ester bromide IUPAC Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide Traditional Name: 6-pyridin-1-ium-1-ylhexanoic acid (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl ester bromide Formula: C25H42BrNO4 MolecularWeight: 500.50928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C25H42NO4.BrH/c1-3-4-5-6-7-8-12-17-25(2)29-22-23(30-25)21-28-24(27)16-11-9-13-18-26-19-14-10-15-20-26;/h10,14-15,19-20,23H,3-9,11-13,16-18,21-22H2,1-2H3;1H/q+1;/p-1