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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-methyl-3-pyrazolyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]azanium Traditional Name: [(1S)-1-(1-methylpyrazol-3-yl)ethyl]-piperonyl-ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C=C1)C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=NN(C=C1)C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O2/c1-10(12-5-6-17(2)16-12)15-8-11-3-4-13-14(7-11)19-9-18-13/h3-7,10,15H,8-9H2,1-2H3/p+1/t10-/m0/s1