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

Systemtic Name: 8-iodanyl-6-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 8-iodo-6-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 8-iodo-6-methyl-3,3-bis(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-iodo-6-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 8-iodo-6-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C22H33IN2O2+2 MolecularWeight: 484.41409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCCCC3)C[NH+]4CCCCC4)I

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCCCC3)C[NH+]4CCCCC4)I

InChI

InChI=1S/C22H31IN2O2/c1-17-12-18-20(19(23)13-17)27-16-22(21(18)26,14-24-8-4-2-5-9-24)15-25-10-6-3-7-11-25/h12-13H,2-11,14-16H2,1H3/p+2