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

Systemtic Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cycloheptyl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cycloheptyl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[1-[[(octadecylamino)-oxomethoxy]methyl]cycloheptyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cycloheptyl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[1-(stearylcarbamoyloxymethyl)cycloheptyl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C37H66N3O4+ MolecularWeight: 616.93764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C37H65N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-29-38-36(42)44-32-37(27-22-19-20-23-28-37)33-26-25-30-40(5-2)34(33)31-39-35(41)43-3/h25-26,30H,4-24,27-29,31-32H2,1-3H3,(H-,38,39,41,42)/p+1