(5-octadecoxyoxolan-3-yl)methyl 3-[(1-ethylpyridin-1-ium-2-yl)methylamino]-3-oxidanylidene-propanoate chloride

Systemtic Name: (5-octadecoxyoxolan-3-yl)methyl 3-[(1-ethylpyridin-1-ium-2-yl)methylamino]-3-oxidanylidene-propanoate chloride Openeye Name: (5-octadecoxytetrahydrofuran-3-yl)methyl 3-[(1-ethylpyridin-1-ium-2-yl)methylamino]-3-oxo-propanoate chloride CAS Name: 3-[(1-ethyl-2-pyridin-1-iumyl)methylamino]-3-oxopropanoic acid (5-octadecoxy-3-oxolanyl)methyl ester chloride IUPAC Name: (5-octadecoxyoxolan-3-yl)methyl 3-[(1-ethylpyridin-1-ium-2-yl)methylamino]-3-oxopropanoate chloride Traditional Name: 3-[(1-ethylpyridin-1-ium-2-yl)methylamino]-3-keto-propionic acid (5-stearyloxytetrahydrofuran-3-yl)methyl ester chloride Formula: C34H59ClN2O5 MolecularWeight: 611.29566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)CC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)CC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

InChI

InChI=1S/C34H58N2O5.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-39-34-25-30(29-41-34)28-40-33(38)26-32(37)35-27-31-22-19-20-23-36(31)4-2;/h19-20,22-23,30,34H,3-18,21,24-29H2,1-2H3;1H