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

Systemtic Name: 5-oxidanyl-4-oxidanylidene-2-phenyl-6,8-bis(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 5-hydroxy-4-keto-2-phenyl-6,8-bis(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCCC4)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCCC4)OC(=CC3=O)C5=CC=CC=C5)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/p+1