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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C20H21N6O3+ MolecularWeight: 393.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N6O3/c27-20(15-6-7-17-18(12-15)29-14-28-17)25-10-8-24(9-11-25)13-19-21-22-23-26(19)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2/p+1