(3-chloranyl-2-oxidanyl-propyl)-dimethyl-[3-(octadecylcarbamoylamino)propyl]azanium chloride

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-dimethyl-[3-(octadecylcarbamoylamino)propyl]azanium chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-dimethyl-[3-(octadecylcarbamoylamino)propyl]ammonium chloride CAS Name: (3-chloro-2-hydroxypropyl)-dimethyl-[3-[[(octadecylamino)-oxomethyl]amino]propyl]ammonium chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-dimethyl-[3-(octadecylcarbamoylamino)propyl]azanium chloride Traditional Name: (3-chloro-2-hydroxy-propyl)-dimethyl-[3-(stearylcarbamoylamino)propyl]ammonium chloride Formula: C27H57Cl2N3O2 MolecularWeight: 526.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(CCl)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(CCl)O.[Cl-]

InChI

InChI=1S/C27H56ClN3O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-27(33)30-22-20-23-31(2,3)25-26(32)24-28;/h26,32H,4-25H2,1-3H3,(H-,29,30,33);1H