(4-methoxyphenyl)-[5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]methanone Openeye Name: [5-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-yl]-(4-methoxyphenyl)methanone CAS Name: [5-hydroxy-4-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranyl]-(4-methoxyphenyl)methanone IUPAC Name: [5-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [5-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-yl]-(4-methoxyphenyl)methanone Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+]4CCCC4

InChI

InChI=1S/C21H21NO4/c1-25-15-6-4-14(5-7-15)21(24)17-13-26-19-9-8-18(23)16(20(17)19)12-22-10-2-3-11-22/h4-9,13,23H,2-3,10-12H2,1H3/p+1