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

Systemtic Name: 2-methyl-5-[4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CS4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CS4

InChI

InChI=1S/C17H20N6OS/c1-20-16(24)11-15(12-19-20)22-8-6-21(7-9-22)13-14-3-2-5-23(14)17-18-4-10-25-17/h2-5,10-12H,6-9,13H2,1H3/p+1