5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethyl-pyridazin-3-one

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethyl-pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethyl-pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethyl-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethylpyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenethyl-pyridazin-3-one Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-20-9-5-10-21(13-12-20)17-14-18(23)22(19-15-17)11-8-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3/p+1