8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one

Systemtic Name: 8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one Openeye Name: 8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 8-methoxy-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)coumarin Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H19N3O4/c1-26-16-6-4-5-14-13-15(20(25)27-18(14)16)19(24)23-11-9-22(10-12-23)17-7-2-3-8-21-17/h2-8,13H,9-12H2,1H3/p+1