5-[4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[4-[[1-(4-methoxyphenyl)-2-pyrrolyl]methyl]-1-piperazin-4-iumyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O2/c1-23-21(27)14-19(15-22-23)25-12-10-24(11-13-25)16-18-4-3-9-26(18)17-5-7-20(28-2)8-6-17/h3-9,14-15H,10-13,16H2,1-2H3/p+1