2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C20H24N4O2/c1-4-26-17-9-7-16(8-10-17)19-6-5-11-23(19)13-24-20(25)18(12-21)14(2)15(3)22-24/h7-10,19H,4-6,11,13H2,1-3H3/p+1/t19-/m1/s1