2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1H-pyridazine-3,6-quinone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C=CC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C=CC(=O)N4

InChI

InChI=1S/C23H24N4O3/c28-20-11-12-21(29)27(24-20)17-22(30)25-13-15-26(16-14-25)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,23H,13-17H2,(H,24,28)/p+1