3-(2-methoxyphenyl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-methoxyphenyl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-methoxyphenyl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-methoxyphenyl)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenyl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(2-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=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-]

InChI

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