[3-[(1-dodecylpyridin-1-ium-3-yl)methylcarbamoyloxy]-2-oxidanyl-propyl] 2-methylpropanoate

Systemtic Name: [3-[(1-dodecylpyridin-1-ium-3-yl)methylcarbamoyloxy]-2-oxidanyl-propyl] 2-methylpropanoate Openeye Name: [3-[(1-dodecylpyridin-1-ium-3-yl)methylcarbamoyloxy]-2-hydroxy-propyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-[[(1-dodecyl-3-pyridin-1-iumyl)methylamino]-oxomethoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(1-dodecylpyridin-1-ium-3-yl)methylcarbamoyloxy]-2-hydroxypropyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-hydroxy-3-[(1-laurylpyridin-1-ium-3-yl)methylcarbamoyloxy]propyl] ester Formula: C26H45N2O5+ MolecularWeight: 465.6459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC(=C1)CNC(=O)OCC(COC(=O)C(C)C)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC(=C1)CNC(=O)OCC(COC(=O)C(C)C)O

InChI

InChI=1S/C26H44N2O5/c1-4-5-6-7-8-9-10-11-12-13-16-28-17-14-15-23(19-28)18-27-26(31)33-21-24(29)20-32-25(30)22(2)3/h14-15,17,19,22,24,29H,4-13,16,18,20-21H2,1-3H3/p+1