[1-(octadecylcarbamoyloxymethyl)cyclohexyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclohexyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclohexyl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [1-[[(octadecylamino)-oxomethoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclohexyl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [1-(stearylcarbamoyloxymethyl)cyclohexyl]methyl ester Formula: C38H66N3O5+ MolecularWeight: 644.94774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

InChI

InChI=1S/C38H65N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-39-36(43)45-32-38(27-22-20-23-28-38)33-46-37(44)41(34(3)42)31-35-26-21-25-30-40(35)5-2/h21,25-26,30H,4-20,22-24,27-29,31-33H2,1-3H3/p+1