4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7,8-trimethyl-chromen-2-one

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7,8-trimethyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7,8-trimethyl-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5,7,8-trimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7,8-trimethylchromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5,7,8-trimethyl-coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-11-6-12(2)18-16(7-17(21)23-19(18)15(11)5)10-20-8-13(3)22-14(4)9-20/h6-7,13-14H,8-10H2,1-5H3/p+1/t13-,14-/m0/s1