3-(2-ethoxyphenoxy)-2-methyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-ethoxyphenoxy)-2-methyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-2-methyl-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-4-keto-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H25NO5 MolecularWeight: 395.4483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C

InChI

InChI=1S/C23H25NO5/c1-3-27-19-8-4-5-9-20(19)29-22-15(2)28-23-16(21(22)26)10-11-18(25)17(23)14-24-12-6-7-13-24/h4-5,8-11,25H,3,6-7,12-14H2,1-2H3