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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2/c1-16(27)17-7-9-18(10-8-17)24-13-11-23(12-14-24)15-25-20(28)26(22-21-25)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3/p+1