[2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-ethanoyl-N-(1-methylpyridin-1-ium-3-yl)carbamate iodide

Systemtic Name: [2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-ethanoyl-N-(1-methylpyridin-1-ium-3-yl)carbamate iodide Openeye Name: [3-(1-ethylhexadecylcarbamoyloxy)-2-methoxy-propyl] N-acetyl-N-(1-methylpyridin-1-ium-3-yl)carbamate iodide CAS Name: N-acetyl-N-(1-methyl-3-pyridin-1-iumyl)carbamic acid [2-methoxy-3-[(octadecan-3-ylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-acetyl-N-(1-methylpyridin-1-ium-3-yl)carbamate iodide Traditional Name: N-acetyl-N-(1-methylpyridin-1-ium-3-yl)carbamic acid [3-(1-ethylhexadecylcarbamoyloxy)-2-methoxy-propyl] ester iodide Formula: C32H56IN3O6 MolecularWeight: 705.70801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O6.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28(7-2)33-31(37)40-25-30(39-5)26-41-32(38)35(27(3)36)29-22-20-23-34(4)24-29;/h20,22-24,28,30H,6-19,21,25-26H2,1-5H3;1H