tert-butyl 4-azanyl-4-[4-(phenylmethyl)phenyl]carbonyl-2-(2-phenylpropanoyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-4-[4-(phenylmethyl)phenyl]carbonyl-2-(2-phenylpropanoyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-amino-4-(4-benzylbenzoyl)-2-(2-phenylpropanoyl)piperazin-4-ium-1-carboxylate CAS Name: 4-amino-4-[oxo-[4-(phenylmethyl)phenyl]methyl]-2-(1-oxo-2-phenylpropyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-4-(4-benzylbenzoyl)-2-(2-phenylpropanoyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-amino-4-(4-benzylbenzoyl)-2-hydratropoyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C32H38N3O4+ MolecularWeight: 528.66182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)C2C[N+](CCN2C(=O)OC(C)(C)C)(C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)C2C[N+](CCN2C(=O)OC(C)(C)C)(C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)N

InChI

InChI=1S/C32H38N3O4/c1-23(26-13-9-6-10-14-26)29(36)28-22-35(33,20-19-34(28)31(38)39-32(2,3)4)30(37)27-17-15-25(16-18-27)21-24-11-7-5-8-12-24/h5-18,23,28H,19-22,33H2,1-4H3/q+1