tert-butyl (3S)-3-[[5-methyl-3-(triphenylmethyl)imidazol-3-ium-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[5-methyl-3-(triphenylmethyl)imidazol-3-ium-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(5-methyl-3-trityl-imidazol-3-ium-1-yl)methyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[5-methyl-3-(triphenylmethyl)-1-imidazol-3-iumyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(5-methyl-3-tritylimidazol-3-ium-1-yl)methyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(5-methyl-3-trityl-imidazol-3-ium-1-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H40N3O2+ MolecularWeight: 522.7003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CN1CC2CCCN(C2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+](=CN1C[C@@H]2CCCN(C2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H40N3O2/c1-27-23-37(26-36(27)25-28-15-14-22-35(24-28)32(38)39-33(2,3)4)34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-21,23,26,28H,14-15,22,24-25H2,1-4H3/q+1/t28-/m1/s1