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

Systemtic Name: 5-methoxy-4-oxidanylidene-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 5-methoxy-4-oxo-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 5-methoxy-4-oxo-2-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-methoxy-4-oxo-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-5-methoxy-2-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

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