4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7-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=CC(=CC(=C23)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-11-5-12(2)18-15(7-17(20)22-16(18)6-11)10-19-8-13(3)21-14(4)9-19/h5-7,13-14H,8-10H2,1-4H3/p+1/t13-,14-/m0/s1