2-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[[4-(4-acetamidophenyl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[4-(4-acetamidophenyl)-2-thiazolyl]methyl]-1-piperazine-1,4-diiumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[[4-(4-acetamidophenyl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide Formula: C22H33N5O2S+2 MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H31N5O2S/c1-16(28)23-18-7-5-17(6-8-18)19-15-30-21(24-19)14-27-11-9-26(10-12-27)13-20(29)25-22(2,3)4/h5-8,15H,9-14H2,1-4H3,(H,23,28)(H,25,29)/p+2