3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C22H22N4O2/c27-20-12-11-19(23-24-20)22(28)26-15-13-25(14-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,24,27)/p+1