4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-hydroxy-8-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=C2C=CC(=C3C)O

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C17H21NO4/c1-10-7-18(8-11(2)21-10)9-13-6-16(20)22-17-12(3)15(19)5-4-14(13)17/h4-6,10-11,19H,7-9H2,1-3H3/p+1/t10-,11-/m0/s1