3-(2-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(2-chlorophenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(2-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxychromen-4-one Traditional Name: 3-(2-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromone Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4Cl)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C22H23ClN2O3/c1-2-24-9-11-25(12-10-24)13-17-20(26)8-7-16-21(27)18(14-28-22(16)17)15-5-3-4-6-19(15)23/h3-8,14,26H,2,9-13H2,1H3/p+1