2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]acetate Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)14-6-4-13(5-7-14)16(22)19-10-8-18(9-11-19)12-15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)