[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-butylpyridin-1-ium-2-yl)methyl]-N-ethanoyl-carbamate

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-butylpyridin-1-ium-2-yl)methyl]-N-ethanoyl-carbamate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-butylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-butyl-2-pyridin-1-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-butylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-butylpyridin-1-ium-2-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester Formula: C36H64N3O6+ MolecularWeight: 634.90986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CCCC)C(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CCCC)C(=O)C)OC

InChI

InChI=1S/C36H63N3O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-37-35(41)44-30-34(43-4)31-45-36(42)39(32(3)40)29-33-25-22-24-28-38(33)27-8-6-2/h22,24-25,28,34H,5-21,23,26-27,29-31H2,1-4H3/p+1