tert-butyl (2S)-1-(hydroxymethyl)-2-(phenylmethoxymethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl (2S)-1-(hydroxymethyl)-2-(phenylmethoxymethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl (2S)-2-(benzyloxymethyl)-1-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: (2S)-1-(hydroxymethyl)-2-(phenylmethoxymethyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(hydroxymethyl)-2-(phenylmethoxymethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: (2S)-2-(benzoxymethyl)-1-methylol-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1COCC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC[C@H]1COCC2=CC=CC=C2)CO

InChI

InChI=1S/C18H28NO4/c1-18(2,3)23-17(21)19(14-20)11-7-10-16(19)13-22-12-15-8-5-4-6-9-15/h4-6,8-9,16,20H,7,10-14H2,1-3H3/q+1/t16-,19?/m0/s1