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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCOCC3)O)OC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCOCC3)O)OC4=CC=CC=C4OC

InChI

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