3-(4-bromophenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one CAS Name: 3-(4-bromophenyl)-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromone Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O3/c1-24-8-10-25(11-9-24)12-13-27-18-6-7-19-21(14-18)28-15-20(22(19)26)16-2-4-17(23)5-3-16/h2-7,14-15H,8-13H2,1H3/p+1