2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-1-(1H-pyrrol-2-yl)ethanone Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c20-16(15-7-4-8-17-15)13-18-9-11-19(12-10-18)23(21,22)14-5-2-1-3-6-14/h1-8,17H,9-13H2/p+1