4-(4-methoxyphenyl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 4-(4-methoxyphenyl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-(4-methoxyphenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-(4-methoxyphenyl)-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-(4-methoxyphenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-4-(4-methoxyphenyl)-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=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCC4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C21H21NO4/c1-25-15-6-4-14(5-7-15)17-12-20(24)26-21-16(17)8-9-19(23)18(21)13-22-10-2-3-11-22/h4-9,12,23H,2-3,10-11,13H2,1H3