1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethyl-azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethyl-azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethyl-ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethylammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethylazanium chloride Traditional Name: 2-chloroethyl-ethyl-piperonyl-ammonium chloride Formula: C12H17Cl2NO2 MolecularWeight: 278.17488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCl)CC1=CC2=C(C=C1)OCO2.[Cl-]

Isomeric SMILES

CC[NH+](CCCl)CC1=CC2=C(C=C1)OCO2.[Cl-]

InChI

InChI=1S/C12H16ClNO2.ClH/c1-2-14(6-5-13)8-10-3-4-11-12(7-10)16-9-15-11;/h3-4,7H,2,5-6,8-9H2,1H3;1H