(3R,4R)-1-(phenylmethyl)-4-thiophen-2-yl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3R,4R)-1-(phenylmethyl)-4-thiophen-2-yl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4R)-1-benzyl-4-(2-thienyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4R)-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4R)-1-benzyl-4-thiophen-2-ylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4R)-1-benzyl-4-(2-thienyl)pyrrolidin-1-ium-3-carboxylate Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H17NO2S/c18-16(19)14-11-17(9-12-5-2-1-3-6-12)10-13(14)15-7-4-8-20-15/h1-8,13-14H,9-11H2,(H,18,19)/t13-,14-/m0/s1