5-methoxy-7-oxidanyl-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 5-methoxy-7-oxidanyl-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-5-methoxy-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-5-methoxy-2-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-5-methoxy-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-5-methoxy-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)C[NH+]4CCCC4)O

InChI

InChI=1S/C21H21NO4/c1-25-19-11-16(23)15(13-22-9-5-6-10-22)21-20(19)17(24)12-18(26-21)14-7-3-2-4-8-14/h2-4,7-8,11-12,23H,5-6,9-10,13H2,1H3/p+1