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

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]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 [3-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]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 [3-(stearylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C35H60N3O5S+ MolecularWeight: 634.933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

InChI

InChI=1S/C35H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-27-31-29-44-33(31)28-43-35(41)38(30(3)39)26-32-23-20-22-25-37(32)5-2/h20,22-23,25,31,33H,4-19,21,24,26-29H2,1-3H3/p+1