4-[[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one Openeye Name: 4-[[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 4-[[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethylchromen-2-one Traditional Name: 4-[[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-coumarin Formula: C28H31N2O5+ MolecularWeight: 475.55614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC(=O)OC5=C4C=C(C=C5)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC(=O)OC5=C4C=C(C=C5)OCC

InChI

InChI=1S/C28H30N2O5/c1-3-19-5-7-25-23(13-19)20(14-27(31)34-25)17-29-9-11-30(12-10-29)18-21-15-28(32)35-26-8-6-22(33-4-2)16-24(21)26/h5-8,13-16H,3-4,9-12,17-18H2,1-2H3/p+1