5-oxidanyl-4-oxidanylidene-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-6-(pyrrolidin-1-ylmethyl)chromen-7-olate

Systemtic Name: 5-oxidanyl-4-oxidanylidene-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-6-(pyrrolidin-1-ylmethyl)chromen-7-olate Openeye Name: 5-hydroxy-4-oxo-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-6-(pyrrolidin-1-ylmethyl)chromen-7-olate CAS Name: 5-hydroxy-4-oxo-2-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-6-(1-pyrrolidinylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-4-oxo-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-6-(pyrrolidin-1-ylmethyl)chromen-7-olate Traditional Name: 5-hydroxy-4-keto-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-6-(pyrrolidinomethyl)chromen-7-olate Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)CN5CCCC5)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)CN5CCCC5)[O-]

InChI

InChI=1S/C25H28N2O4/c28-20-14-21(17-8-2-1-3-9-17)31-25-19(16-27-12-6-7-13-27)23(29)18(24(30)22(20)25)15-26-10-4-5-11-26/h1-3,8-9,14,29-30H,4-7,10-13,15-16H2