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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-4-10(2)14-8-11-5-6-12-13(7-11)16-9-15-12/h5-7,10,14H,3-4,8-9H2,1-2H3/p+1/t10-/m0/s1