methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclohexyl]pyridin-1-ium-2-yl]methyl]carbamate

Systemtic Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclohexyl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclohexyl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[1-[[(octadecylamino)-oxomethoxy]methyl]cyclohexyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclohexyl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[1-(stearylcarbamoyloxymethyl)cyclohexyl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C36H64N3O4+ MolecularWeight: 602.91106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C36H63N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-37-35(41)43-31-36(26-21-20-22-27-36)32-25-24-29-39(5-2)33(32)30-38-34(40)42-3/h24-25,29H,4-23,26-28,30-31H2,1-3H3,(H-,37,38,40,41)/p+1