1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H24N4O4S2/c24-17(15-12-16(20-13-15)19(25)22-5-1-2-6-22)14-21-7-9-23(10-8-21)29(26,27)18-4-3-11-28-18/h3-4,11-13,20H,1-2,5-10,14H2/p+1