N-(2-ethylphenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H28N4O2S+2 MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c1-2-17-6-3-4-7-19(17)24-21(27)15-26-11-9-25(10-12-26)14-18-16-28-22(23-18)20-8-5-13-29-20/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,27)/p+2