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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylpiperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylpiperazin-4-ium Traditional Name: 1-ethyl-4-piperonyl-piperazin-1-ium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-2-15-5-7-16(8-6-15)10-12-3-4-13-14(9-12)18-11-17-13/h3-4,9H,2,5-8,10-11H2,1H3/p+1