1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1H-pyrrol-2-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1H-pyrrol-2-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C14H18N3O3S2+ MolecularWeight: 340.44102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H17N3O3S2/c18-13(12-3-1-5-15-12)11-16-6-8-17(9-7-16)22(19,20)14-4-2-10-21-14/h1-5,10,15H,6-9,11H2/p+1