1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1,5-dimethyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]azanium Traditional Name: [(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-piperonyl-ammonium Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=NN1C)[C@H](C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O2/c1-10(13-8-17-18(3)11(13)2)16-7-12-4-5-14-15(6-12)20-9-19-14/h4-6,8,10,16H,7,9H2,1-3H3/p+1/t10-/m0/s1