(3S)-6,8-bis(iodanyl)-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3S)-6,8-bis(iodanyl)-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3S)-6,8-diiodo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3S)-6,8-diiodo-3-methyl-3-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6,8-diiodo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3S)-6,8-diiodo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C15H18I2NO2+ MolecularWeight: 498.11786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2C1=O)I)I)C[NH+]3CCCC3

Isomeric SMILES

C[C@@]1(COC2=C(C=C(C=C2C1=O)I)I)C[NH+]3CCCC3

InChI

InChI=1S/C15H17I2NO2/c1-15(8-18-4-2-3-5-18)9-20-13-11(14(15)19)6-10(16)7-12(13)17/h6-7H,2-5,8-9H2,1H3/p+1/t15-/m0/s1