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

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one Formula: C18H22N7O2+ MolecularWeight: 368.41298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C18H21N7O2/c1-23-6-3-7-24(9-8-23)15-10-17(26)25(20-12-15)13-16-21-18(22-27-16)14-4-2-5-19-11-14/h2,4-5,10-12H,3,6-9,13H2,1H3/p+1