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

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7,8-dimethyl-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-11-5-6-16-15(7-17(20)22-18(16)14(11)4)10-19-8-12(2)21-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3/p+1/t12-,13-/m0/s1