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

Systemtic Name: 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C16H19N8+ MolecularWeight: 323.37566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N8/c1-2-5-14(6-3-1)24-15(19-20-21-24)13-22-9-11-23(12-10-22)16-17-7-4-8-18-16/h1-8H,9-13H2/p+1