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

Systemtic Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopropyl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopropyl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[1-[[(octadecylamino)-oxomethoxy]methyl]cyclopropyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[1-(octadecylcarbamoyloxymethyl)cyclopropyl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[1-(stearylcarbamoyloxymethyl)cyclopropyl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C33H58N3O4+ MolecularWeight: 560.83132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C33H57N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-32(38)40-28-33(23-24-33)29-22-21-26-36(5-2)30(29)27-35-31(37)39-3/h21-22,26H,4-20,23-25,27-28H2,1-3H3,(H-,34,35,37,38)/p+1