tert-butyl (3S)-3-(4-phenylphenyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(4-phenylphenyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(4-phenylphenyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-(4-phenylphenyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-phenylphenyl)piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(4-phenylphenyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@H](C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)23-14-13-22-19(15-23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19,22H,13-15H2,1-3H3/p+1/t19-/m1/s1