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

Systemtic Name: 2-phenoxy-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenoxy-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2/c27-20(16-28-18-9-5-2-6-10-18)25-13-11-24(12-14-25)15-19-21-22-23-26(19)17-7-3-1-4-8-17/h1-10H,11-16H2/p+1