[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C19H19N4O3+ MolecularWeight: 351.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N4O3/c20-13-15-4-6-16(7-5-15)19(25)26-14-18(24)23-11-9-22(10-12-23)17-3-1-2-8-21-17/h1-8H,9-12,14H2/p+1