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

Systemtic Name: 3-(4-bromophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one CAS Name: 3-(4-bromophenyl)-7-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromone Formula: C23H26BrN2O4+ MolecularWeight: 474.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br)CCO

InChI

InChI=1S/C23H25BrN2O4/c24-18-3-1-17(2-4-18)21-16-30-22-15-19(5-6-20(22)23(21)28)29-14-12-26-9-7-25(8-10-26)11-13-27/h1-6,15-16,27H,7-14H2/p+1