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

Systemtic Name: (2S,4R)-4-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CCCC2=CC=CC=C2

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CCCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(17)13-9-12(10-15-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2,(H,16,17)/t12-,13+/m1/s1