3-(3-methoxyphenoxy)-2-methyl-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H27NO5/c1-14-21(28-16-7-5-6-15(12-16)26-2)20(25)17-8-9-19(24)18(22(17)27-14)13-23-10-3-4-11-23/h5-7,12,18,22,25H,3-4,8-11,13H2,1-2H3/p+1