1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyl-5-tetrazolyl)piperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H22N6O2/c1-2-4-17(5-3-1)26-20(21-22-23-26)25-10-8-24(9-11-25)15-16-6-7-18-19(14-16)28-13-12-27-18/h1-7,14H,8-13,15H2/p+1