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

Systemtic Name: N-(4-ethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H27N3OS+2 MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3OS/c1-2-16-5-7-17(8-6-16)20-19(23)15-22-11-9-21(10-12-22)14-18-4-3-13-24-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,20,23)/p+2