2-[2-(octadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: 2-[2-(octadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: 2-[2-(octadecylcarbamoyloxy)ethylsulfanyl]ethyl 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 2-[2-[(octadecylamino)-oxomethoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-(octadecylcarbamoyloxy)ethylsulfanyl]ethyl 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 2-[2-(stearylcarbamoyloxy)ethylthio]ethyl ester Formula: C34H60N3O5S+ MolecularWeight: 622.9223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCSCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCSCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C

InChI

InChI=1S/C34H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-35-33(39)41-26-28-43-29-27-42-34(40)37(31(3)38)30-32-23-20-22-25-36(32)5-2/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3/p+1