4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-7-hydroxy-4-methyl-coumarin Formula: C25H27N2O4+ MolecularWeight: 419.49288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-18-21-10-9-20(28)16-23(21)31-25(30)22(18)17-24(29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16,28H,11-15,17H2,1H3/p+1/b8-5+