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

Systemtic Name: 2-methyl-5-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(2-phenyloxazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[(2-phenyl-4-oxazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(2-phenyloxazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2/c1-22-18(25)11-17(12-20-22)24-9-7-23(8-10-24)13-16-14-26-19(21-16)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3/p+1