6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c30-24-12-11-23(26-29(24)19-20-32-22-9-5-2-6-10-22)25(31)28-17-15-27(16-18-28)14-13-21-7-3-1-4-8-21/h1-12H,13-20H2/p+1