1-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methanidyl-piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methanidylpiperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methanidylpiperazin-4-ium Traditional Name: 1-methanidyl-4-piperonyl-piperazin-1-ium Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

[CH2-][NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N2O2/c1-14-4-6-15(7-5-14)9-11-2-3-12-13(8-11)17-10-16-12/h2-3,8,14H,1,4-7,9-10H2