N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C19H31N5OS+2 MolecularWeight: 377.54734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)C)C#N)C

InChI

InChI=1S/C19H29N5OS/c1-14-10-15(2)24(18(26)16(14)11-20)13-23-8-6-22(7-9-23)12-17(25)21-19(3,4)5/h10H,6-9,12-13H2,1-5H3,(H,21,25)/p+2