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

Systemtic Name: 2-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[[2-(o-tolyl)thiazol-5-yl]methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[[2-(2-methylphenyl)-5-thiazolyl]methyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[[2-(o-tolyl)thiazol-5-yl]methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(S2)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(S2)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

InChI

InChI=1S/C19H21N5OS/c1-14-4-2-3-5-17(14)19-21-12-16(26-19)13-24-18(25)10-15(11-22-24)23-8-6-20-7-9-23/h2-5,10-12,20H,6-9,13H2,1H3/p+1