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

Systemtic Name: 2-methyl-5-[4-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[4-(thiadiazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[4-(4-thiadiazolyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[4-(thiadiazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[4-(thiadiazol-4-yl)benzyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C18H21N6OS+ MolecularWeight: 369.46394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CSN=N4

InChI

InChI=1S/C18H20N6OS/c1-22-18(25)10-16(11-19-22)24-8-6-23(7-9-24)12-14-2-4-15(5-3-14)17-13-26-21-20-17/h2-5,10-11,13H,6-9,12H2,1H3/p+1