7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one

Systemtic Name: 7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Openeye Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one CAS Name: 7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]coumarin Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C20H19N3O4/c24-19(23-11-9-22(10-12-23)18-3-1-2-8-21-18)14-26-16-6-4-15-5-7-20(25)27-17(15)13-16/h1-8,13H,9-12,14H2/p+1