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

Systemtic Name: (3S)-8-iodanyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3S)-8-iodo-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(1-piperidylmethyl)chroman-4-one CAS Name: (3S)-8-iodo-6-methyl-3-(1-piperidin-1-iumylmethyl)-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-8-iodo-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3S)-8-iodo-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidinomethyl)chroman-4-one Formula: C22H32IN2O2+ MolecularWeight: 483.40615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCCCC3)CN4CCCCC4)I

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)[C@](CO2)(C[NH+]3CCCCC3)CN4CCCCC4)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+1