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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2/c1-12-15(13(2)23-18-12)11-21-16(22)9-14(10-17-21)20-6-4-5-19(3)7-8-20/h9-10H,4-8,11H2,1-3H3/p+1