3-(1,3-benzodioxol-5-ylmethyl)pentan-3-ylazanium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)pentan-3-ylazanium Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-propyl]ammonium CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)pentan-3-ylammonium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)pentan-3-ylazanium Traditional Name: (1-ethyl-1-piperonyl-propyl)ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CCC(CC)(CC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C13H19NO2/c1-3-13(14,4-2)8-10-5-6-11-12(7-10)16-9-15-11/h5-7H,3-4,8-9,14H2,1-2H3/p+1