4-bromanyl-2-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-bromanyl-2-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-bromo-2-phenyl-pyridazin-3-one CAS Name: 4-bromo-2-phenyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-bromo-2-phenylpyridazin-3-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-bromo-2-phenyl-pyridazin-3-one Formula: C21H22BrN4O+ MolecularWeight: 426.32958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H21BrN4O/c22-20-19(15-23-26(21(20)27)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1