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

Systemtic Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CCN1CC[NH+](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