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

Systemtic Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: 2-[2-(heptadecylcarbamoyloxy)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-[(heptadecylamino)-oxomethoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-(heptadecylcarbamoyloxy)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-(heptadecylcarbamoyloxy)ethylthio]ethyl ester Formula: C33H58N3O5S+ MolecularWeight: 608.89572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-34-32(38)40-25-27-42-28-26-41-33(39)36(30(3)37)29-31-22-19-21-24-35(31)5-2/h19,21-22,24H,4-18,20,23,25-29H2,1-3H3/p+1