(4-chloranyl-2-methyl-heptadecan-2-yl)-(2-oxidanylpropyl)azanium chloride

Systemtic Name: (4-chloranyl-2-methyl-heptadecan-2-yl)-(2-oxidanylpropyl)azanium chloride Openeye Name: (3-chloro-1,1-dimethyl-hexadecyl)-(2-hydroxypropyl)ammonium chloride CAS Name: (4-chloro-2-methylheptadecan-2-yl)-(2-hydroxypropyl)ammonium chloride IUPAC Name: (4-chloro-2-methylheptadecan-2-yl)-(2-hydroxypropyl)azanium chloride Traditional Name: (3-chloro-1,1-dimethyl-hexadecyl)-(2-hydroxypropyl)ammonium chloride Formula: C21H45Cl2NO MolecularWeight: 398.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(C)(C)[NH2+]CC(C)O)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(CC(C)(C)[NH2+]CC(C)O)Cl.[Cl-]

InChI

InChI=1S/C21H44ClNO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(22)17-21(3,4)23-18-19(2)24;/h19-20,23-24H,5-18H2,1-4H3;1H