7-methyl-2-oxidanylidene-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 7-methyl-2-oxo-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 7-methyl-2-oxo-4-phenyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 7-methyl-2-oxo-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 2-keto-7-methyl-4-phenyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C21H21NO3/c1-14-11-18-20(21(24)17(14)13-22-9-5-6-10-22)16(12-19(23)25-18)15-7-3-2-4-8-15/h2-4,7-8,11-12,24H,5-6,9-10,13H2,1H3