methyl (2S,4S)-4-(2,3-dihydro-1H-inden-5-yloxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2,3-dihydro-1H-inden-5-yloxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-indan-5-yloxypyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2,3-dihydro-1H-inden-5-yloxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2,3-dihydro-1H-inden-5-yloxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-indan-5-yloxypyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C15H19NO3/c1-18-15(17)14-8-13(9-16-14)19-12-6-5-10-3-2-4-11(10)7-12/h5-7,13-14,16H,2-4,8-9H2,1H3/p+1/t13-,14-/m0/s1