(3-methylimidazol-3-ium-1-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone iodide

Systemtic Name: (3-methylimidazol-3-ium-1-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone iodide Openeye Name: (3-methylimidazol-3-ium-1-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone iodide CAS Name: (3-methyl-1-imidazol-3-iumyl)-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone iodide IUPAC Name: (3-methylimidazol-3-ium-1-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone iodide Traditional Name: (3-methylimidazol-3-ium-1-yl)-[4-(2-thienylsulfonyl)piperazino]methanone iodide Formula: C13H17IN4O3S2 MolecularWeight: 468.33355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3.[I-]

InChI

InChI=1S/C13H17N4O3S2.HI/c1-14-4-5-16(11-14)13(18)15-6-8-17(9-7-15)22(19,20)12-3-2-10-21-12;/h2-5,10-11H,6-9H2,1H3;1H/q+1;/p-1