tert-butyl (2R,3R)-2,3-diphenylpiperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2R,3R)-2,3-diphenylpiperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2R,3R)-2,3-diphenylpiperazin-4-ium-1-carboxylate CAS Name: (2R,3R)-2,3-diphenyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2,3-diphenylpiperazin-4-ium-1-carboxylate Traditional Name: (2R,3R)-2,3-diphenylpiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)23-15-14-22-18(16-10-6-4-7-11-16)19(23)17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3/p+1/t18-,19-/m1/s1