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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-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:

COC1=C(C=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCC4)OC

InChI

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