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

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-cyanophenyl)-2-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-2-24(15-20(26)27)11-7-18(8-12-24)23-10-9-22(14-19(23)25)17-5-3-16(13-21)4-6-17/h3-6,18H,2,7-12,14-15H2,1H3