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

Systemtic Name: 2-methyl-5-[4-[[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[1-(3-pyridylmethyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[1-(3-pyridinylmethyl)-2-pyrrolyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[[1-(3-pyridylmethyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3CC4=CN=CC=C4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3CC4=CN=CC=C4

InChI

InChI=1S/C20H24N6O/c1-23-20(27)12-19(14-22-23)25-10-8-24(9-11-25)16-18-5-3-7-26(18)15-17-4-2-6-21-13-17/h2-7,12-14H,8-11,15-16H2,1H3/p+1