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

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC(OC(C3)C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3C[C@@H](O[C@H](C3)C)C)O

InChI

InChI=1S/C18H23NO4/c1-4-13-5-15-14(6-18(21)23-17(15)7-16(13)20)10-19-8-11(2)22-12(3)9-19/h5-7,11-12,20H,4,8-10H2,1-3H3/p+1/t11-,12-/m0/s1