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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=CC(=C(C=C23)O)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC(=O)OC3=CC(=C(C=C23)O)C

InChI

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