3-chloranylpropyl-(cyclohex-3-en-1-ylmethyl)-methyl-octadecyl-azanium

Systemtic Name: 3-chloranylpropyl-(cyclohex-3-en-1-ylmethyl)-methyl-octadecyl-azanium Openeye Name: 3-chloropropyl-(cyclohex-3-en-1-ylmethyl)-methyl-octadecyl-ammonium CAS Name: 3-chloropropyl-(1-cyclohex-3-enylmethyl)-methyl-octadecylammonium IUPAC Name: 3-chloropropyl-(cyclohex-3-en-1-ylmethyl)-methyl-octadecylazanium Traditional Name: 3-chloropropyl-(cyclohex-3-en-1-ylmethyl)-methyl-stearyl-ammonium Formula: C29H57ClN+ MolecularWeight: 455.22258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCl)CC1CCC=CC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCl)CC1CCC=CC1

InChI

InChI=1S/C29H57ClN/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-31(2,27-22-25-30)28-29-23-19-18-20-24-29/h18-19,29H,3-17,20-28H2,1-2H3/q+1