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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C23H31N5OS+2 MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C

InChI

InChI=1S/C23H29N5OS/c1-17-7-6-8-18(2)22(17)24-21(29)15-26-11-13-27(14-12-26)16-28-20-10-5-4-9-19(20)25(3)23(28)30/h4-10H,11-16H2,1-3H3,(H,24,29)/p+2