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

Systemtic Name: 3-(4-chlorophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-chlorophenyl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-chlorophenyl)-4-hydroxy-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-chlorophenyl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-chlorophenyl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H23ClNO4+ MolecularWeight: 376.85392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=COC2C(C1=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC2=C(C(=COC2C(C1=O)C[NH+]3CCOCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C20H22ClNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-4,12,16,20,24H,5-11H2/p+1