1-[2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[2-[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-oxoethyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-[2-keto-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]ethyl]pyridazin-3-olate Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C(=O)C=CC(=N2)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C(=O)C=CC(=N2)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O4/c1-28-16-7-5-15(6-8-16)17(23-11-3-2-4-12-23)13-21-19(26)14-24-20(27)10-9-18(25)22-24/h5-10,17H,2-4,11-14H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1