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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C19H29N5OS+2 MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CN3C=CN(C3=S)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CN3C=CN(C3=S)C

InChI

InChI=1S/C19H27N5OS/c1-3-16-6-4-5-7-17(16)20-18(25)14-22-9-11-23(12-10-22)15-24-13-8-21(2)19(24)26/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,20,25)/p+2