2H-pyran-6-ylmethyl N-(heptadecylcarbamoyloxy)-N-[1-(1,3-thiazol-3-ium-5-yl)pentan-3-yl]carbamate bromide

Systemtic Name: 2H-pyran-6-ylmethyl N-(heptadecylcarbamoyloxy)-N-[1-(1,3-thiazol-3-ium-5-yl)pentan-3-yl]carbamate bromide Openeye Name: 2H-pyran-6-ylmethyl N-(1-ethyl-3-thiazol-3-ium-5-yl-propyl)-N-(heptadecylcarbamoyloxy)carbamate bromide CAS Name: N-[(heptadecylamino)-oxomethoxy]-N-[1-(5-thiazol-3-iumyl)pentan-3-yl]carbamic acid 2H-pyran-6-ylmethyl ester bromide IUPAC Name: 2H-pyran-6-ylmethyl N-(heptadecylcarbamoyloxy)-N-[1-(1,3-thiazol-3-ium-5-yl)pentan-3-yl]carbamate bromide Traditional Name: N-(1-ethyl-3-thiazol-3-ium-5-yl-propyl)-N-(heptadecylcarbamoyloxy)carbamic acid 2H-pyran-6-ylmethyl ester bromide Formula: C33H56BrN3O5S MolecularWeight: 686.78384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)ON(C(CC)CCC1=C[NH+]=CS1)C(=O)OCC2=CC=CCO2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)ON(C(CC)CCC1=C[NH+]=CS1)C(=O)OCC2=CC=CCO2.[Br-]

InChI

InChI=1S/C33H55N3O5S.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-35-32(37)41-36(29(4-2)22-23-31-26-34-28-42-31)33(38)40-27-30-21-18-20-25-39-30;/h18,20-21,26,28-29H,3-17,19,22-25,27H2,1-2H3,(H,35,37);1H