dimethyl-[[(2Z)-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dimethyl-[[(2Z)-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylene]-3-oxo-benzofuran-7-yl]methyl-dimethyl-ammonium CAS Name: [(2Z)-6-hydroxy-2-[[(2S)-2-methyl-2H-1-benzopyran-3-yl]methylidene]-3-oxo-7-benzofuranyl]methyl-dimethylammonium IUPAC Name: [(2Z)-6-hydroxy-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dimethylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylene]coumaran-7-yl]methyl-dimethyl-ammonium Formula: C22H22NO4+ MolecularWeight: 364.41438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)C

Isomeric SMILES

C[C@H]1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)C

InChI

InChI=1S/C22H21NO4/c1-13-15(10-14-6-4-5-7-19(14)26-13)11-20-21(25)16-8-9-18(24)17(12-23(2)3)22(16)27-20/h4-11,13,24H,12H2,1-3H3/p+1/b20-11-/t13-/m0/s1