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

Systemtic Name: N-tert-butyl-2-[4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-(4-ethoxyphenyl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(4-ethoxyphenyl)-2-thiazolyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-p-phenetylthiazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H32N4O2S/c1-5-28-18-8-6-17(7-9-18)19-16-29-21(23-19)15-26-12-10-25(11-13-26)14-20(27)24-22(2,3)4/h6-9,16H,5,10-15H2,1-4H3,(H,24,27)/p+2