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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-2-9(7-13)5-10-3-4-11-12(6-10)15-8-14-11/h3-4,6,9H,2,5,7-8,13H2,1H3/p+1/t9-/m0/s1