3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-ethoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2-ethoxyphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2-ethoxyphenoxy)-4-hydroxy-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2-ethoxyphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2-ethoxyphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H28NO6+ MolecularWeight: 402.46082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H27NO6/c1-2-27-18-5-3-4-6-19(18)29-20-14-28-22-15(21(20)25)7-8-17(24)16(22)13-23-9-11-26-12-10-23/h3-6,14,16,22,25H,2,7-13H2,1H3/p+1