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

Systemtic Name: 2-[2-(pentadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: 2-[2-(pentadecylcarbamoyloxy)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-[oxo-(pentadecylamino)methoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-(pentadecylcarbamoyloxy)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-(pentadecylcarbamoyloxy)ethylthio]ethyl ester Formula: C31H54N3O5S+ MolecularWeight: 580.84256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-32-30(36)38-23-25-40-26-24-39-31(37)34(28(3)35)27-29-20-17-19-22-33(29)5-2/h17,19-20,22H,4-16,18,21,23-27H2,1-3H3/p+1