2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C15H23N4O+ MolecularWeight: 275.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=O)C(=C(C(=N2)C)C)C#N

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=O)C(=C(C(=N2)C)C)C#N

InChI

InChI=1S/C15H22N4O/c1-4-13-7-5-6-8-18(13)10-19-15(20)14(9-16)11(2)12(3)17-19/h13H,4-8,10H2,1-3H3/p+1/t13-/m0/s1