(3-chloranyl-2-oxidanyl-propyl)-di(tridecan-2-yl)azanium chloride

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-di(tridecan-2-yl)azanium chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-bis(1-methyldodecyl)ammonium chloride CAS Name: (3-chloro-2-hydroxypropyl)-di(tridecan-2-yl)ammonium chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-di(tridecan-2-yl)azanium chloride Traditional Name: (3-chloro-2-hydroxy-propyl)-bis(1-methyldodecyl)ammonium chloride Formula: C29H61Cl2NO MolecularWeight: 510.70674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CC(CCl)O)C(C)CCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(C)[NH+](CC(CCl)O)C(C)CCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C29H60ClNO.ClH/c1-5-7-9-11-13-15-17-19-21-23-27(3)31(26-29(32)25-30)28(4)24-22-20-18-16-14-12-10-8-6-2;/h27-29,32H,5-26H2,1-4H3;1H