tert-butyl 1-(4-ethanoylphenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-ethanoylphenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-acetylphenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(4-acetylphenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-acetylphenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-acetylphenyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)[N+]2(CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[N+]2(CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N2O3/c1-13(20)14-5-7-15(8-6-14)19(11-9-18-10-12-19)16(21)22-17(2,3)4/h5-8,18H,9-12H2,1-4H3/q+1