(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide CAS Name: 6-(1-quinolin-1-iumyl)hexanoic 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 6-quinolin-1-ium-1-ylhexanoate bromide Traditional Name: 6-quinolin-1-ium-1-ylhexanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester bromide Formula: C37H60BrNO4 MolecularWeight: 662.7806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C.[Br-]

InChI

InChI=1S/C37H60NO4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-37(2)41-32-34(42-37)31-40-36(39)27-18-17-22-29-38-30-23-25-33-24-19-20-26-35(33)38;/h19-20,23-26,30,34H,3-18,21-22,27-29,31-32H2,1-2H3;1H/q+1;/p-1