5-[(5-fluoranyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 5-[(5-fluoranyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethyl-pyrrolidine-3-carboxylic acid Openeye Name: 5-[(5-fluoro-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethyl-pyrrolidine-3-carboxylic acid CAS Name: 5-[(5-fluoro-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethyl-3-pyrrolidinecarboxylic acid IUPAC Name: 5-[(5-fluoro-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethylpyrrolidine-3-carboxylic acid Traditional Name: 5-[(5-fluoro-2-keto-indolin-1-ium-1-ylidene)methyl]-2,2,4,4-tetramethyl-pyrrolidine-3-carboxylic acid Formula: C18H22FN2O3+ MolecularWeight: 333.377283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(C1C(=O)O)(C)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)F)C

Isomeric SMILES

CC1(C(NC(C1C(=O)O)(C)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)F)C

InChI

InChI=1S/C18H21FN2O3/c1-17(2)13(20-18(3,4)15(17)16(23)24)9-21-12-6-5-11(19)7-10(12)8-14(21)22/h5-7,9,13,15,20H,8H2,1-4H3/p+1