(2R,3R)-6-bromanyl-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one

Systemtic Name: (2R,3R)-6-bromanyl-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one Openeye Name: (2R,3R)-6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-chroman-4-one CAS Name: (2R,3R)-6-bromo-3-methyl-2-phenyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3R)-6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one Traditional Name: (2R,3R)-6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-chroman-4-one Formula: C21H23BrNO2+ MolecularWeight: 401.31682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C[C@]1([C@H](OC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C21H22BrNO2/c1-21(23-12-6-3-7-13-23)19(24)17-14-16(22)10-11-18(17)25-20(21)15-8-4-2-5-9-15/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3/p+1/t20-,21+/m1/s1