2-(phenylmethyl)-6-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(phenylmethyl)-6-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-benzyl-6-(4-cinnamylpiperazin-4-ium-1-carbonyl)pyridazin-3-one CAS Name: 6-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]methyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-(4-cinnamylpiperazin-4-ium-1-carbonyl)pyridazin-3-one Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c30-24-14-13-23(26-29(24)20-22-10-5-2-6-11-22)25(31)28-18-16-27(17-19-28)15-7-12-21-8-3-1-4-9-21/h1-14H,15-20H2/p+1