7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-phenyl-chromen-2-one

Systemtic Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-phenyl-chromen-2-one Openeye Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-4-phenyl-chromen-2-one CAS Name: 7-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-4-phenylchromen-2-one Traditional Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]-4-phenyl-coumarin Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5/c26-13-12-24-8-10-25(11-9-24)22(27)16-29-18-6-7-19-20(17-4-2-1-3-5-17)15-23(28)30-21(19)14-18/h1-7,14-15,26H,8-13,16H2/p+1