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

Systemtic Name: 6-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one Openeye Name: 6-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 6-methoxy-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 6-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=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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