tert-butyl 1-phenylpiperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-phenylpiperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-phenylpiperazin-1-ium-1-carboxylate CAS Name: 1-phenyl-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-phenylpiperazin-1-ium-1-carboxylate Traditional Name: 1-phenylpiperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N2O2/c1-15(2,3)19-14(18)17(11-9-16-10-12-17)13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3/q+1