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

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-methyl-chromen-2-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-methyl-chromen-2-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-methylchromen-2-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-methyl-coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=C2C=C(C=C3)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC(=O)OC3=C2C=C(C=C3)C

InChI

InChI=1S/C17H21NO3/c1-11-4-5-16-15(6-11)14(7-17(19)21-16)10-18-8-12(2)20-13(3)9-18/h4-7,12-13H,8-10H2,1-3H3/p+1/t12-,13-/m0/s1