5-methoxy-2-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 5-methoxy-2-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-phenyl-pyridazin-3-one CAS Name: 5-methoxy-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-3-pyridazinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-phenylpyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-phenyl-pyridazin-3-one Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-30-20-16-21(28)27(19-10-6-3-7-11-19)24-22(20)23(29)26-14-12-25(13-15-26)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3/p+1