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

Systemtic Name: 3-(4-bromophenyl)-2-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 3-(4-bromophenyl)-2-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 3-(4-bromophenyl)-2-methyl-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-2-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 3-(4-bromophenyl)-2-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C23H25BrNO3+ MolecularWeight: 443.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H24BrNO3/c1-16-22(17-5-7-18(24)8-6-17)23(26)20-10-9-19(15-21(20)28-16)27-14-13-25-11-3-2-4-12-25/h5-10,15H,2-4,11-14H2,1H3/p+1