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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium Traditional Name: 1-piperonylpiperazin-4-ium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2/p+1