1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-4-ium Traditional Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-piperonyl-piperazin-1-ium Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CC(=CCC/C(=C/C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)C

InChI

InChI=1S/C22H32N2O2/c1-18(2)5-4-6-19(3)9-10-23-11-13-24(14-12-23)16-20-7-8-21-22(15-20)26-17-25-21/h5,7-9,15H,4,6,10-14,16-17H2,1-3H3/p+1/b19-9+