2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate bromide CAS Name: 5-[4-(dimethylamino)-1-pyridin-1-iumyl]pentanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate bromide Traditional Name: 5-[4-(dimethylamino)pyridin-1-ium-1-yl]valeric acid 2-(cetyloxymethyl)pentyl ester bromide Formula: C34H63BrN2O3 MolecularWeight: 627.77962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63N2O3.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-29-38-30-32(22-6-2)31-39-34(37)23-19-20-26-36-27-24-33(25-28-36)35(3)4;/h24-25,27-28,32H,5-23,26,29-31H2,1-4H3;1H/q+1;/p-1