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

Systemtic Name: (2R,4S)-4-oxidanyl-N-(4-propan-2-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-(4-isopropoxyphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-(4-propan-2-yloxyphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-(4-propan-2-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-(4-isopropoxyphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C14H20N2O3/c1-9(2)19-12-5-3-10(4-6-12)16-14(18)13-7-11(17)8-15-13/h3-6,9,11,13,15,17H,7-8H2,1-2H3,(H,16,18)/p+1/t11-,13+/m0/s1