1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]methyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazin-4-ium Traditional Name: 1-ethyl-4-[(1-piperonyltetrazol-5-yl)methyl]piperazin-1-ium Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NN=NN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NN=NN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H22N6O2/c1-2-20-5-7-21(8-6-20)11-16-17-18-19-22(16)10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,2,5-8,10-12H2,1H3/p+1