(4-methylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-methylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (4-methylsulfonylphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-mesylphenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C17H19N3O3S/c1-24(22,23)16-4-2-14(3-5-16)17(21)20-12-10-19(11-13-20)15-6-8-18-9-7-15/h2-9H,10-13H2,1H3/p+1