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

Systemtic Name: 2-[2-(hexadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: 2-[2-(hexadecylcarbamoyloxy)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-[(hexadecylamino)-oxomethoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-(hexadecylcarbamoyloxy)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-(cetylcarbamoyloxy)ethylthio]ethyl ester Formula: C32H56N3O5S+ MolecularWeight: 594.86914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-33-31(37)39-24-26-41-27-25-40-32(38)35(29(3)36)28-30-21-18-20-23-34(30)5-2/h18,20-21,23H,4-17,19,22,24-28H2,1-3H3/p+1