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

Systemtic Name: 2,2-diphenyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2,2-diphenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2,2-diphenyl-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2,2-diphenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2,2-diphenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N6O/c33-26(25(21-10-4-1-5-11-21)22-12-6-2-7-13-22)31-18-16-30(17-19-31)20-24-27-28-29-32(24)23-14-8-3-9-15-23/h1-15,25H,16-20H2/p+1