tert-butyl 3-azanyl-2-cyano-4-fluoranyl-1-methyl-2-(3-methylpentanoyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-2-cyano-4-fluoranyl-1-methyl-2-(3-methylpentanoyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-amino-2-cyano-4-fluoro-1-methyl-2-(3-methylpentanoyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 3-amino-2-cyano-4-fluoro-1-methyl-2-(3-methyl-1-oxopentyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-2-cyano-4-fluoro-1-methyl-2-(3-methylpentanoyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 3-amino-2-cyano-4-fluoro-1-methyl-2-(3-methylpentanoyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H29FN3O3+ MolecularWeight: 342.428863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)C1(C(C(C[N+]1(C)C(=O)OC(C)(C)C)F)N)C#N

Isomeric SMILES

CCC(C)CC(=O)C1(C(C(C[N+]1(C)C(=O)OC(C)(C)C)F)N)C#N

InChI

InChI=1S/C17H29FN3O3/c1-7-11(2)8-13(22)17(10-19)14(20)12(18)9-21(17,6)15(23)24-16(3,4)5/h11-12,14H,7-9,20H2,1-6H3/q+1