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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C22H22ClN8O+ MolecularWeight: 449.91608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H21ClN8O/c23-21-19(15-24-31(22(21)32)18-9-5-2-6-10-18)29-13-11-28(12-14-29)16-20-25-26-27-30(20)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1