tert-butyl 1-(4-nitrophenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-nitrophenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-nitrophenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(4-nitrophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-nitrophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-nitrophenyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N3O4/c1-15(2,3)22-14(19)18(10-8-16-9-11-18)13-6-4-12(5-7-13)17(20)21/h4-7,16H,8-11H2,1-3H3/q+1