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

Systemtic Name: 5-methyl-3-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C16H20N7O+ MolecularWeight: 326.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C16H19N7O/c1-13-11-14(18-24-13)12-21-7-9-22(10-8-21)16-17-19-20-23(16)15-5-3-2-4-6-15/h2-6,11H,7-10,12H2,1H3/p+1