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

Systemtic Name: 3-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]chromone Formula: C21H21BrNO3+ MolecularWeight: 415.30034

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20BrNO3/c22-17-7-5-16(6-8-17)21(25)9-11-23(12-10-21)13-15-14-26-19-4-2-1-3-18(19)20(15)24/h1-8,14,25H,9-13H2/p+1