[2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-ethanoyl-N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate chloride

Systemtic Name: [2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-ethanoyl-N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate chloride Openeye Name: [3-(1-ethylhexadecylcarbamoyloxy)-2-methoxy-propyl] N-acetyl-N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate chloride CAS Name: N-acetyl-N-(1-ethyl-1-methyl-3-piperidin-1-iumyl)carbamic acid [2-methoxy-3-[(octadecan-3-ylamino)-oxomethoxy]propyl] ester chloride IUPAC Name: [2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-acetyl-N-(1-ethyl-1-methylpiperidin-1-ium-3-yl)carbamate chloride Traditional Name: N-acetyl-N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamic acid [3-(1-ethylhexadecylcarbamoyloxy)-2-methoxy-propyl] ester chloride Formula: C34H66ClN3O6 MolecularWeight: 648.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)NC(=O)OCC(COC(=O)N(C1CCC[N+](C1)(C)CC)C(=O)C)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)NC(=O)OCC(COC(=O)N(C1CCC[N+](C1)(C)CC)C(=O)C)OC.[Cl-]

InChI

InChI=1S/C34H65N3O6.ClH/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-30(8-2)35-33(39)42-27-32(41-6)28-43-34(40)36(29(4)38)31-24-22-25-37(5,9-3)26-31;/h30-32H,7-28H2,1-6H3;1H