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

Systemtic Name: 6-chloranyl-4-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-4-methyl-coumarin Formula: C21H21ClN3O4+ MolecularWeight: 414.86214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H20ClN3O4/c1-14-10-21(27)29-17-12-18(16(22)11-15(14)17)28-13-20(26)25-8-6-24(7-9-25)19-4-2-3-5-23-19/h2-5,10-12H,6-9,13H2,1H3/p+1