8-iodanyl-6-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one

Systemtic Name: 8-iodanyl-6-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one Openeye Name: 8-iodo-6-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chroman-4-one CAS Name: 8-iodo-6-methyl-3-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-iodo-6-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2H-chromen-4-one Traditional Name: 8-iodo-6-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chroman-4-one Formula: C24H37IN2O2+2 MolecularWeight: 512.46725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2(COC3=C(C=C(C=C3C2=O)C)I)C[NH+]4CCCC(C4)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2(COC3=C(C=C(C=C3C2=O)C)I)C[NH+]4CCC[C@@H](C4)C

InChI

InChI=1S/C24H35IN2O2/c1-17-6-4-8-26(12-17)14-24(15-27-9-5-7-18(2)13-27)16-29-22-20(23(24)28)10-19(3)11-21(22)25/h10-11,17-18H,4-9,12-16H2,1-3H3/p+2/t17-,18+,24?