2-[4-[4-(4-cyanophenyl)-2,5-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-2,5-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(4-cyanophenyl)-2,5-dioxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-cyanophenyl)-2,5-dioxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(4-cyanophenyl)-2,5-dioxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-cyanophenyl)-2,5-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)N2CC(=O)N(CC2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CC(=O)N(CC2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

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