4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-2-23-8-10-24(11-9-23)15-17-12-22(26)27-21-14-18(20(25)13-19(17)21)16-6-4-3-5-7-16/h3-7,12-14,25H,2,8-11,15H2,1H3