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

Systemtic Name: 3-(2-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

InChI

InChI=1S/C21H25NO5/c1-25-19-5-3-2-4-14(19)17-13-27-21-15(20(17)24)6-7-18(23)16(21)12-22-8-10-26-11-9-22/h2-5,13,16,21,24H,6-12H2,1H3/p+1