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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylpropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]azanium Traditional Name: [(1S)-1-methylpropyl]-piperonyl-ammonium Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-3-9(2)13-7-10-4-5-11-12(6-10)15-8-14-11/h4-6,9,13H,3,7-8H2,1-2H3/p+1/t9-/m0/s1