2-[2-(azepan-1-ium-1-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-ium-1-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[2-(1-azepan-1-iumyl)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-ium-1-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-ium-1-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C17H31N5O+2 MolecularWeight: 321.46094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC[NH+]3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC[NH+]3CCCCCC3

InChI

InChI=1S/C17H29N5O/c1-19-8-11-21(12-9-19)16-14-17(23)22(18-15-16)13-10-20-6-4-2-3-5-7-20/h14-15H,2-13H2,1H3/p+2