[2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxidanylidene-propyl]carbamate

Systemtic Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxidanylidene-propyl]carbamate Openeye Name: [2-(octadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxo-propyl]carbamate CAS Name: N-[1-(1-ethyl-2-pyridin-1-iumyl)-2-oxopropyl]carbamic acid [2-[[(octadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxopropyl]carbamate Traditional Name: N-[1-(1-ethylpyridin-1-ium-2-yl)-2-keto-propyl]carbamic acid [2-(stearylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C36H62N3O6+ MolecularWeight: 632.89398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)NC(C2=CC=CC=[N+]2CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)NC(C2=CC=CC=[N+]2CC)C(=O)C

InChI

InChI=1S/C36H61N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-37-34(41)43-29-36(25-23-28-45-36)30-44-35(42)38-33(31(3)40)32-24-20-22-27-39(32)5-2/h20,22,24,27,33H,4-19,21,23,25-26,28-30H2,1-3H3,(H-,37,38,41,42)/p+1