4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 7-hydroxy-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-methyl-coumarin Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H21N3O4/c1-14-16-6-5-15(25)12-18(16)28-21(27)17(14)13-20(26)24-10-8-23(9-11-24)19-4-2-3-7-22-19/h2-7,12,25H,8-11,13H2,1H3/p+1