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

Systemtic Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(4-bromophenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxychromen-4-one Traditional Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromone Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O3/c1-2-24-9-11-25(12-10-24)13-18-20(26)8-7-17-21(27)19(14-28-22(17)18)15-3-5-16(23)6-4-15/h3-8,14,26H,2,9-13H2,1H3/p+1