1-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H23NO2/c1-14-9-15(2)12-22(11-14)13-17-10-20(23)24-19-8-7-16-5-3-4-6-18(16)21(17)19/h3-8,10,14-15H,9,11-13H2,1-2H3/p+1/t14-,15-/m1/s1