[2-methoxy-3-[2-[[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonylamino]ethylcarbamoyloxy]propyl] N-octadecylcarbamate

Systemtic Name: [2-methoxy-3-[2-[[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonylamino]ethylcarbamoyloxy]propyl] N-octadecylcarbamate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[2-[(1-benzylpyridin-1-ium-3-carbonyl)amino]ethyl]carbamate CAS Name: N-octadecylcarbamic acid [2-methoxy-3-[oxo-[2-[[oxo-[1-(phenylmethyl)-3-pyridin-1-iumyl]methyl]amino]ethylamino]methoxy]propyl] ester IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[2-[(1-benzylpyridin-1-ium-3-carbonyl)amino]ethyl]carbamate Traditional Name: N-[2-[(1-benzylpyridin-1-ium-3-carbonyl)amino]ethyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester Formula: C39H63N4O6+ MolecularWeight: 683.94072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCCNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCCNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2)OC

InChI

InChI=1S/C39H62N4O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-41-38(45)48-32-36(47-2)33-49-39(46)42-28-27-40-37(44)35-25-22-29-43(31-35)30-34-23-19-18-20-24-34/h18-20,22-25,29,31,36H,3-17,21,26-28,30,32-33H2,1-2H3,(H2-,40,41,42,44,45,46)/p+1