2-[4-[4-(4-cyanophenyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(4-cyanophenyl)-2,3-dioxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-cyanophenyl)-2,3-dioxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(4-cyanophenyl)-2,3-dioxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-cyanophenyl)-2,3-diketo-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(C(=O)C2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(C(=O)C2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-2-24(14-18(25)26)11-7-17(8-12-24)23-10-9-22(19(27)20(23)28)16-5-3-15(13-21)4-6-16/h3-6,17H,2,7-12,14H2,1H3