tert-butyl 2-methyl-1-[2-(phenylmethoxycarbonylamino)ethanoylamino]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-1-[2-(phenylmethoxycarbonylamino)ethanoylamino]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-methyl-piperidin-1-ium-1-carboxylate CAS Name: 2-methyl-1-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]piperidin-1-ium-1-carboxylate Traditional Name: 1-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1CCCC[N+]1(C(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-16-10-8-9-13-24(16,20(27)29-21(2,3)4)23-18(25)14-22-19(26)28-15-17-11-6-5-7-12-17/h5-7,11-12,16H,8-10,13-15H2,1-4H3,(H-,22,23,25,26)/p+1