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

Systemtic Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]coumarin Formula: C17H21N2O5+ MolecularWeight: 333.35904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c20-10-9-18-5-7-19(8-6-18)16(21)12-23-14-3-1-13-2-4-17(22)24-15(13)11-14/h1-4,11,20H,5-10,12H2/p+1