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

Systemtic Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[1-[[(octadecylamino)-oxomethoxy]methyl]cyclopentyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[1-(stearylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C35H62N3O4+ MolecularWeight: 588.88448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C35H61N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-36-34(40)42-30-35(25-20-21-26-35)31-24-23-28-38(5-2)32(31)29-37-33(39)41-3/h23-24,28H,4-22,25-27,29-30H2,1-3H3,(H-,36,37,39,40)/p+1