1-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazol-5-one CAS Name: 1-phenyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolone IUPAC Name: 1-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazol-5-one Traditional Name: 1-phenyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]tetrazol-5-one Formula: C16H19N8O+ MolecularWeight: 339.37506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N8O/c25-16-23(19-20-24(16)14-5-2-1-3-6-14)13-21-9-11-22(12-10-21)15-17-7-4-8-18-15/h1-8H,9-13H2/p+1