1,3-benzodioxol-5-ylmethyl-[(2S)-4-methylpentan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-4-methylpentan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1,3-dimethylbutyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-4-methylpentan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1,3-dimethylbutyl]-piperonyl-ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-10(2)6-11(3)15-8-12-4-5-13-14(7-12)17-9-16-13/h4-5,7,10-11,15H,6,8-9H2,1-3H3/p+1/t11-/m0/s1