(2-methylsulfonylphenyl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone

Systemtic Name: (2-methylsulfonylphenyl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Openeye Name: (2-methylsulfonylphenyl)-[1-(1-piperidyl)piperidin-1-ium-1-yl]methanone CAS Name: (2-methylsulfonylphenyl)-[1-(1-piperidinyl)-1-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfonylphenyl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Traditional Name: (2-mesylphenyl)-(1-piperidinopiperidin-1-ium-1-yl)methanone Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)[N+]2(CCCCC2)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)[N+]2(CCCCC2)N3CCCCC3

InChI

InChI=1S/C18H27N2O3S/c1-24(22,23)17-11-5-4-10-16(17)18(21)20(14-8-3-9-15-20)19-12-6-2-7-13-19/h4-5,10-11H,2-3,6-9,12-15H2,1H3/q+1