3-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-6-methyl-chromone Formula: C22H23BrNO3+ MolecularWeight: 429.32692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H22BrNO3/c1-15-2-7-20-19(12-15)21(25)16(14-27-20)13-24-10-8-22(26,9-11-24)17-3-5-18(23)6-4-17/h2-7,12,14,26H,8-11,13H2,1H3/p+1