1,3-benzodioxol-5-ylmethyl-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-piperonyl-ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](C(C)C)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H19NO2/c1-9(2)10(3)14-7-11-4-5-12-13(6-11)16-8-15-12/h4-6,9-10,14H,7-8H2,1-3H3/p+1/t10-/m0/s1