6-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C21H23N2O5+ MolecularWeight: 383.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)O

InChI

InChI=1S/C21H22N2O5/c1-2-14-10-16-15(11-20(25)28-19(16)12-17(14)24)13-22-5-7-23(8-6-22)21(26)18-4-3-9-27-18/h3-4,9-12,24H,2,5-8,13H2,1H3/p+1