5-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[4-(3-cyano-2-pyridin-1-iumyl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[4-(3-cyanopyridin-1-ium-2-yl)piperazino]-5-keto-3,3-dimethyl-valerate Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C#N)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C#N)CC(=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-17(2,11-15(23)24)10-14(22)20-6-8-21(9-7-20)16-13(12-18)4-3-5-19-16/h3-5H,6-11H2,1-2H3,(H,23,24)