3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxochromen-7-olate Traditional Name: 2-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=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCOCC4)OC2=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCOCC4)OC2=O

InChI

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