3-hexadecoxypropyl-(2-hydroxyethyl)-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride

Systemtic Name: 3-hexadecoxypropyl-(2-hydroxyethyl)-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: 3-hexadecoxypropyl-(2-hydroxyethyl)-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: 3-hexadecoxypropyl-(2-hydroxyethyl)-methyl-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: 3-hexadecoxypropyl-(2-hydroxyethyl)-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: 3-cetyloxypropyl-(2-hydroxyethyl)-[(2-ketopyrrolidino)methyl]-methyl-ammonium chloride Formula: C27H55ClN2O3 MolecularWeight: 491.1902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCC[N+](C)(CCO)CN1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCC[N+](C)(CCO)CN1CCCC1=O.[Cl-]

InChI

InChI=1S/C27H55N2O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-32-25-18-21-29(2,22-23-30)26-28-20-17-19-27(28)31;/h30H,3-26H2,1-2H3;1H/q+1;/p-1