1,3-benzodioxol-5-ylmethyl-dimethyl-octyl-azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-dimethyl-octyl-azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-dimethyl-octyl-ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-dimethyl-octylammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-dimethyl-octylazanium chloride Traditional Name: dimethyl-octyl-piperonyl-ammonium chloride Formula: C18H30ClNO2 MolecularWeight: 327.8893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC1=CC2=C(C=C1)OCO2.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC1=CC2=C(C=C1)OCO2.[Cl-]

InChI

InChI=1S/C18H30NO2.ClH/c1-4-5-6-7-8-9-12-19(2,3)14-16-10-11-17-18(13-16)21-15-20-17;/h10-11,13H,4-9,12,14-15H2,1-3H3;1H/q+1;/p-1