tert-butyl 1-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]methyl]-2-phenoxy-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]methyl]-2-phenoxy-pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]methyl]-2-phenoxy-pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]methyl]-2-phenoxy-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-phenoxypyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[[4-(2-ethoxy-2-keto-ethyl)piperazino]methyl]-2-phenoxy-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H38N3O5+ MolecularWeight: 448.57562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C[N+]2(CCCC2OC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C[N+]2(CCCC2OC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H38N3O5/c1-5-30-22(28)18-25-13-15-26(16-14-25)19-27(23(29)32-24(2,3)4)17-9-12-21(27)31-20-10-7-6-8-11-20/h6-8,10-11,21H,5,9,12-19H2,1-4H3/q+1