4-[cyano(dimethyl)azaniumyl]-3-(1-ethanoylpyrrolidin-2-yl)carbonyloxy-butanoate

Systemtic Name: 4-[cyano(dimethyl)azaniumyl]-3-(1-ethanoylpyrrolidin-2-yl)carbonyloxy-butanoate Openeye Name: 3-(1-acetylpyrrolidine-2-carbonyl)oxy-4-[cyano(dimethyl)ammonio]butanoate CAS Name: 3-[(1-acetyl-2-pyrrolidinyl)-oxomethoxy]-4-[cyano(dimethyl)ammonio]butanoate IUPAC Name: 3-(1-acetylpyrrolidine-2-carbonyl)oxy-4-[cyano(dimethyl)azaniumyl]butanoate Traditional Name: 3-(1-acetylprolyl)oxy-4-[cyano(dimethyl)ammonio]butyrate Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)OC(CC(=O)[O-])C[N+](C)(C)C#N

Isomeric SMILES

CC(=O)N1CCCC1C(=O)OC(CC(=O)[O-])C[N+](C)(C)C#N

InChI

InChI=1S/C14H21N3O5/c1-10(18)16-6-4-5-12(16)14(21)22-11(7-13(19)20)8-17(2,3)9-15/h11-12H,4-8H2,1-3H3