4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 5,7-dihydroxy-3-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-4-methyl-coumarin Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C23H25N3O5/c1-15-18(23(30)31-20-13-17(27)12-19(28)22(15)20)14-21(29)26-10-8-25(9-11-26)7-5-16-4-2-3-6-24-16/h2-4,6,12-13,27-28H,5,7-11,14H2,1H3/p+1