[3-(6-chloranylhexyl)-2-methyl-tridecan-2-yl]azanium bromide

Systemtic Name: [3-(6-chloranylhexyl)-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-(6-chlorohexyl)-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-(6-chlorohexyl)-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-(6-chlorohexyl)-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-(6-chlorohexyl)-1,1-dimethyl-dodecyl]ammonium bromide Formula: C20H43BrClN MolecularWeight: 412.91912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCl)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCl)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C20H42ClN.BrH/c1-4-5-6-7-8-9-10-13-16-19(20(2,3)22)17-14-11-12-15-18-21;/h19H,4-18,22H2,1-3H3;1H