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

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(3-methylpyrazol-1-yl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(3-methylpyrazol-1-yl)ethyl]pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(3-methyl-1-pyrazolyl)ethyl]-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(3-methylpyrazol-1-yl)ethyl]pyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(3-methylpyrazol-1-yl)ethyl]pyridazin-3-one Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=NN(C=C1)CCN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C16H24N6O/c1-14-4-7-21(18-14)10-11-22-16(23)12-15(13-17-22)20-6-3-5-19(2)8-9-20/h4,7,12-13H,3,5-6,8-11H2,1-2H3/p+1