(2R,4S)-4-butyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2R,4S)-4-butyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2R,4S)-1-benzyl-4-butyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2R,4S)-4-butyl-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2R,4S)-1-benzyl-4-butylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2R,4S)-1-benzyl-4-butyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC([NH+](C1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC[C@H]1C[C@@H]([NH+](C1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H23NO2/c1-2-3-7-14-10-15(16(18)19)17(12-14)11-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3,(H,18,19)/p+1/t14-,15+/m0/s1