(3,4-dichlorophenyl)methyl-henicosan-11-yl-azanium chloride

Systemtic Name: (3,4-dichlorophenyl)methyl-henicosan-11-yl-azanium chloride Openeye Name: 1-decylundecyl-[(3,4-dichlorophenyl)methyl]ammonium chloride CAS Name: (3,4-dichlorophenyl)methyl-heneicosan-11-ylammonium chloride IUPAC Name: (3,4-dichlorophenyl)methyl-henicosan-11-ylazanium chloride Traditional Name: 1-decylundecyl-(3,4-dichlorobenzyl)ammonium chloride Formula: C28H50Cl3N MolecularWeight: 507.0623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49Cl2N.ClH/c1-3-5-7-9-11-13-15-17-19-26(20-18-16-14-12-10-8-6-4-2)31-24-25-21-22-27(29)28(30)23-25;/h21-23,26,31H,3-20,24H2,1-2H3;1H