3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C21H21NO5/c1-25-15-4-2-14(3-5-15)18-13-27-21-16(20(18)24)6-7-19(23)17(21)12-22-8-10-26-11-9-22/h2-7,13,23H,8-12H2,1H3