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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-piperonyl-ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-11(2)4-5-12(3)16-9-13-6-7-14-15(8-13)18-10-17-14/h6-8,11-12,16H,4-5,9-10H2,1-3H3/p+1/t12-/m0/s1