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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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