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

Systemtic Name: 6-bromanyl-8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one Openeye Name: 6-bromo-8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 6-bromo-8-methoxy-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 6-bromo-8-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)coumarin Formula: C20H19BrN3O4+ MolecularWeight: 445.28656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H18BrN3O4/c1-27-16-12-14(21)10-13-11-15(20(26)28-18(13)16)19(25)24-8-6-23(7-9-24)17-4-2-3-5-22-17/h2-5,10-12H,6-9H2,1H3/p+1