3-(4-bromophenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 3-(4-bromophenyl)-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C22H23BrNO3+ MolecularWeight: 429.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrNO3/c23-17-6-4-16(5-7-17)20-15-27-21-14-18(8-9-19(21)22(20)25)26-13-12-24-10-2-1-3-11-24/h4-9,14-15H,1-3,10-13H2/p+1