(2S,4R)-4-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-(benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(1-benzothiophen-3-ylmethyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-(1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(benzothiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxylate Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CSC3=CC=CC=C32

InChI

InChI=1S/C14H15NO2S/c16-14(17)12-6-9(7-15-12)5-10-8-18-13-4-2-1-3-11(10)13/h1-4,8-9,12,15H,5-7H2,(H,16,17)/t9-,12+/m1/s1