(2S)-2-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-(benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-(1-benzothiophen-3-ylmethyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CSC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=CSC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C14H15NO2S/c16-13(17)14(6-3-7-15-14)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,15H,3,6-8H2,(H,16,17)/t14-/m0/s1