2-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C17H24N6O/c1-13-9-14(2)20-16(19-13)12-23-17(24)10-15(11-18-23)22-6-4-5-21(3)7-8-22/h9-11H,4-8,12H2,1-3H3/p+1