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

Systemtic Name: 6-chloranyl-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-methyl-coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO3/c1-10-4-16-14(6-15(10)18)13(5-17(20)22-16)9-19-7-11(2)21-12(3)8-19/h4-6,11-12H,7-9H2,1-3H3/p+1/t11-,12-/m0/s1