ethyl (3S,4R)-1-methyl-4-(phenylcarbonyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S,4R)-1-methyl-4-(phenylcarbonyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: ethyl (3S,4R)-4-benzoyl-1-methyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3S,4R)-4-benzoyl-1-methyl-3-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-benzoyl-1-methylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S,4R)-4-benzoyl-1-methyl-pyrrolidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CC1C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1C[NH+](C[C@@H]1C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/p+1/t12-,13+/m0/s1