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

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(1-piperonyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N6O3/c1-28-18-5-3-2-4-17(18)26-10-8-25(9-11-26)14-21-22-23-24-27(21)13-16-6-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3/p+1