4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methoxy-coumarin Formula: C17H22NO4+ MolecularWeight: 304.36088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H21NO4/c1-11-8-18(9-12(2)21-11)10-13-6-17(19)22-16-7-14(20-3)4-5-15(13)16/h4-7,11-12H,8-10H2,1-3H3/p+1/t11-,12-/m0/s1