(phenylmethyl) 1-(tert-butylcarbamoyl)piperazin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-(tert-butylcarbamoyl)piperazin-1-ium-1-carboxylate Openeye Name: benzyl 1-(tert-butylcarbamoyl)piperazin-1-ium-1-carboxylate CAS Name: 1-[(tert-butylamino)-oxomethyl]-1-piperazin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(tert-butylcarbamoyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(tert-butylcarbamoyl)piperazin-1-ium-1-carboxylic acid benzyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)[N+]1(CCNCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)[N+]1(CCNCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)20(11-9-18-10-12-20)16(22)23-13-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3/p+1