6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-1,4-dihydropyridazin-3-one

Systemtic Name: 6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-1,4-dihydropyridazin-3-one Openeye Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one CAS Name: 6-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-phenyl-1,4-dihydropyridazin-3-one IUPAC Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one Traditional Name: 6-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-22-12-11-21(24-27(22)20-9-5-2-6-10-20)23(29)26-17-15-25(16-18-26)14-13-19-7-3-1-4-8-19/h1-11,24H,12-18H2/p+1