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

Systemtic Name: 2-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H21N8O+ MolecularWeight: 389.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H20N8O/c29-19-16-8-4-5-9-17(16)21-18(22-19)14-26-10-12-27(13-11-26)20-23-24-25-28(20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22,29)/p+1