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

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-cyclohexyl-piperazin-4-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexyl-piperazin-4-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]methyl]-4-cyclohexylpiperazin-4-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazin-4-ium Traditional Name: 1-cyclohexyl-4-[(1-piperonyltetrazol-5-yl)methyl]piperazin-1-ium Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H28N6O2/c1-2-4-17(5-3-1)25-10-8-24(9-11-25)14-20-21-22-23-26(20)13-16-6-7-18-19(12-16)28-15-27-18/h6-7,12,17H,1-5,8-11,13-15H2/p+1