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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-22-32-30(36)38-24-25-40-28(4)39-31(37)34(27(3)35)26-29-21-18-20-23-33(29)6-2/h18,20-21,23,28H,5-17,19,22,24-26H2,1-4H3/p+1