1-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzo[f]chromen-3-one Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21NO3/c1-13-10-21(11-14(2)23-13)12-16-9-19(22)24-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-9,13-14H,10-12H2,1-2H3/p+1/t13-,14-/m1/s1