[2-(methoxycarbonylamino)-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride

Systemtic Name: [2-(methoxycarbonylamino)-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride Openeye Name: [2-(methoxycarbonylamino)-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-(methoxycarbonylamino)-3-[(octadecylamino)-oxomethoxy]propyl] ester chloride IUPAC Name: [2-(methoxycarbonylamino)-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid [2-(carbomethoxyamino)-3-(stearylcarbamoyloxy)propyl] ester chloride Formula: C33H58ClN3O6 MolecularWeight: 628.28312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)CCC[N+]1=CC=CC=C1)NC(=O)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)CCC[N+]1=CC=CC=C1)NC(=O)OC.[Cl-]

InChI

InChI=1S/C33H57N3O6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-34-32(38)42-29-30(35-33(39)40-2)28-41-31(37)23-22-27-36-25-20-18-21-26-36;/h18,20-21,25-26,30H,3-17,19,22-24,27-29H2,1-2H3,(H-,34,35,38,39);1H