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

Systemtic Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclobutyl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclobutyl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[1-[[(octadecylamino)-oxomethoxy]methyl]cyclobutyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclobutyl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[1-(stearylcarbamoyloxymethyl)cyclobutyl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C34H60N3O4+ MolecularWeight: 574.8579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C34H59N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-35-33(39)41-29-34(24-22-25-34)30-23-21-27-37(5-2)31(30)28-36-32(38)40-3/h21,23,27H,4-20,22,24-26,28-29H2,1-3H3,(H-,35,36,38,39)/p+1