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

Systemtic Name: 2-methyl-4-oxidanylidene-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 2-methyl-4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 2-methyl-4-oxo-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 2-methyl-4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-2-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

InChI

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