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

Systemtic Name: N-tert-butyl-2-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-(4-isopropylphenyl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(4-propan-2-ylphenyl)-2-thiazolyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-p-cumenylthiazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C23H36N4OS+2 MolecularWeight: 416.62314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4OS/c1-17(2)18-6-8-19(9-7-18)20-16-29-22(24-20)15-27-12-10-26(11-13-27)14-21(28)25-23(3,4)5/h6-9,16-17H,10-15H2,1-5H3,(H,25,28)/p+2