N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-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:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C=CN(C3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C=CN(C3=S)C

InChI

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