[2-ethoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: [2-ethoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: [2-ethoxy-3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] N-(1-ethylhexadecyl)carbamate CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [2-ethoxy-3-[(octadecan-3-ylamino)-oxomethoxy]propyl] ester IUPAC Name: [2-ethoxy-3-(octadecan-3-ylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-(1-ethylhexadecyl)carbamic acid [2-ethoxy-3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] ester Formula: C33H60N3O5+ MolecularWeight: 578.8466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)NC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1CC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)NC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1CC)OCC

InChI

InChI=1S/C33H59N3O5/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-29(6-2)35-33(38)41-28-31(39-8-4)27-40-32(37)34-26-30-24-21-22-25-36(30)7-3/h21-22,24-25,29,31H,5-20,23,26-28H2,1-4H3,(H-,34,35,37,38)/p+1