2-cinnamylidene-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: 2-cinnamylidene-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: 2-cinnamylidene-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: 2-cinnamylidene-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: 2-cinnamylidene-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: 2-cinnamylidene-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC=CC4=CC=CC=C4)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC=CC4=CC=CC=C4)C3=O)O

InChI

InChI=1S/C22H21NO3/c24-19-12-11-17-21(25)20(10-6-9-16-7-2-1-3-8-16)26-22(17)18(19)15-23-13-4-5-14-23/h1-3,6-12,24H,4-5,13-15H2/p+1