ethyl (3R,4S)-4-phenyl-1-prop-2-enyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R,4S)-4-phenyl-1-prop-2-enyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: ethyl (3R,4S)-1-allyl-4-phenyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4S)-4-phenyl-1-prop-2-enyl-3-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-phenyl-1-prop-2-enylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4S)-1-allyl-4-phenyl-pyrrolidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CC1C2=CC=CC=C2)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-3-10-17-11-14(13-8-6-5-7-9-13)15(12-17)16(18)19-4-2/h3,5-9,14-15H,1,4,10-12H2,2H3/p+1/t14-,15+/m1/s1