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

Systemtic Name: ethyl (3S,4R)-4-(phenylcarbonyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: ethyl (3S,4R)-4-benzoyl-1-benzyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3S,4R)-4-benzoyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-benzoyl-1-benzylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S,4R)-4-benzoyl-1-benzyl-pyrrolidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CC1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1C[NH+](C[C@@H]1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-2-25-21(24)19-15-22(13-16-9-5-3-6-10-16)14-18(19)20(23)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3/p+1/t18-,19+/m0/s1