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

Systemtic Name: 8-iodanyl-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 8-iodo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 8-iodo-6-methyl-3,3-bis(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-iodo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 8-iodo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one Formula: C20H29IN2O2+2 MolecularWeight: 456.36093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCCC3)C[NH+]4CCCC4)I

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCCC3)C[NH+]4CCCC4)I

InChI

InChI=1S/C20H27IN2O2/c1-15-10-16-18(17(21)11-15)25-14-20(19(16)24,12-22-6-2-3-7-22)13-23-8-4-5-9-23/h10-11H,2-9,12-14H2,1H3/p+2