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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(4-methoxyphenyl)-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-25-15-6-4-14(5-7-15)18-13-26-21-16(20(18)24)8-9-19(23)17(21)12-22-10-2-3-11-22/h4-7,13,17,21,24H,2-3,8-12H2,1H3/p+1