(2S,4R)-4-oxidanyl-N-phenethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-oxidanyl-N-phenethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-phenethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-phenethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-phenethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-phenethyl-pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCCC2=CC=CC=C2)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C13H18N2O2/c16-11-8-12(15-9-11)13(17)14-7-6-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2,(H,14,17)/p+1/t11-,12+/m1/s1