(4-chlorophenyl)methyl-henicosan-11-yl-azanium chloride

Systemtic Name: (4-chlorophenyl)methyl-henicosan-11-yl-azanium chloride Openeye Name: (4-chlorophenyl)methyl-(1-decylundecyl)ammonium chloride CAS Name: (4-chlorophenyl)methyl-heneicosan-11-ylammonium chloride IUPAC Name: (4-chlorophenyl)methyl-henicosan-11-ylazanium chloride Traditional Name: (4-chlorobenzyl)-(1-decylundecyl)ammonium chloride Formula: C28H51Cl2N MolecularWeight: 472.61724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)[NH2+]CC1=CC=C(C=C1)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)[NH2+]CC1=CC=C(C=C1)Cl.[Cl-]

InChI

InChI=1S/C28H50ClN.ClH/c1-3-5-7-9-11-13-15-17-19-28(20-18-16-14-12-10-8-6-4-2)30-25-26-21-23-27(29)24-22-26;/h21-24,28,30H,3-20,25H2,1-2H3;1H