2-(hexadecoxymethyl)pentyl 6-(4-piperidin-1-ylpyridin-1-ium-1-yl)hexanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 6-(4-piperidin-1-ylpyridin-1-ium-1-yl)hexanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 6-[4-(1-piperidyl)pyridin-1-ium-1-yl]hexanoate bromide CAS Name: 6-[4-(1-piperidinyl)-1-pyridin-1-iumyl]hexanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 6-(4-piperidin-1-ylpyridin-1-ium-1-yl)hexanoate bromide Traditional Name: 6-(4-piperidinopyridin-1-ium-1-yl)hexanoic acid 2-(cetyloxymethyl)pentyl ester bromide Formula: C38H69BrN2O3 MolecularWeight: 681.87006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCC[N+]1=CC=C(C=C1)N2CCCCC2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCC[N+]1=CC=C(C=C1)N2CCCCC2.[Br-]

InChI

InChI=1S/C38H69N2O3.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-33-42-34-36(24-4-2)35-43-38(41)25-19-17-20-28-39-31-26-37(27-32-39)40-29-21-18-22-30-40;/h26-27,31-32,36H,3-25,28-30,33-35H2,1-2H3;1H/q+1;/p-1