2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-keto-2-(3-methoxyphenyl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H20N4O3/c1-24-15-4-2-3-13(9-15)16(22)12-21-17(23)10-14(11-19-21)20-7-5-18-6-8-20/h2-4,9-11,18H,5-8,12H2,1H3/p+1