(2Z)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C22H21N2O3+ MolecularWeight: 361.41374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CNC5=CC=CC=C54)/C3=O)O

InChI

InChI=1S/C22H20N2O3/c25-19-8-7-16-21(26)20(11-14-12-23-18-6-2-1-5-15(14)18)27-22(16)17(19)13-24-9-3-4-10-24/h1-2,5-8,11-12,23,25H,3-4,9-10,13H2/p+1/b20-11-