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

Systemtic Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[(2-phenylthiazol-4-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[(2-phenyl-4-thiazolyl)methyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[(2-phenylthiazol-4-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c24-17-10-16(22-8-6-19-7-9-22)11-20-23(17)12-15-13-25-18(21-15)14-4-2-1-3-5-14/h1-5,10-11,13,19H,6-9,12H2/p+1