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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2-phenoxyethoxy)benzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic 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] 2-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C26H28N3O5+ MolecularWeight: 462.51762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5/c30-25(29-16-14-28(15-17-29)24-12-6-7-13-27-24)20-34-26(31)22-10-4-5-11-23(22)33-19-18-32-21-8-2-1-3-9-21/h1-13H,14-20H2/p+1