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

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(5-methylisoxazol-3-yl)methyl]pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(5-methyl-3-isoxazolyl)methyl]-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(5-methylisoxazol-3-yl)methyl]pyridazin-3-one Formula: C15H22N5O2+ MolecularWeight: 304.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NO1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C15H21N5O2/c1-12-8-13(17-22-12)11-20-15(21)9-14(10-16-20)19-5-3-4-18(2)6-7-19/h8-10H,3-7,11H2,1-2H3/p+1