7-bromanyl-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[(2R)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C20H19BrNO2+ MolecularWeight: 385.27436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H18BrNO2/c21-16-8-9-17-15(11-20(23)24-19(17)12-16)13-22-10-4-7-18(22)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2/p+1/t18-/m1/s1