2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=CN3

InChI

InChI=1S/C17H21N3O3S/c1-14-4-2-5-15(12-14)24(22,23)20-10-8-19(9-11-20)13-17(21)16-6-3-7-18-16/h2-7,12,18H,8-11,13H2,1H3/p+1