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

Systemtic Name: 3-(4-tert-butylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-tert-butylphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-tert-butylphenoxy)-4-hydroxy-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-tert-butylphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-tert-butylphenoxy)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4

InChI

InChI=1S/C24H31NO5/c1-24(2,3)16-4-6-17(7-5-16)30-21-15-29-23-18(22(21)27)8-9-20(26)19(23)14-25-10-12-28-13-11-25/h4-7,15,19,23,27H,8-14H2,1-3H3/p+1