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

Systemtic Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate Openeye Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-(dimethylamino)-1-pyridin-1-iumyl]pentanoic acid 2-(hexadecoxymethyl)pentyl ester IUPAC Name: 2-(hexadecoxymethyl)pentyl 5-[4-(dimethylamino)pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-(dimethylamino)pyridin-1-ium-1-yl]valeric acid 2-(cetyloxymethyl)pentyl ester Formula: C34H63N2O3+ MolecularWeight: 547.87562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63N2O3/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/q+1