2-(1,3-benzodioxol-5-yl)ethyl-propan-2-yl-azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-propan-2-yl-azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-isopropyl-ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-propan-2-ylammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-propan-2-ylazanium Traditional Name: homopiperonyl(isopropyl)ammonium Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)[NH2+]CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H17NO2/c1-9(2)13-6-5-10-3-4-11-12(7-10)15-8-14-11/h3-4,7,9,13H,5-6,8H2,1-2H3/p+1