dimethyl-[3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propyl]azanium Openeye Name: 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[(1-besylisonipecotoyl)amino]propyl-dimethyl-ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O3S/c1-19(2)12-6-11-18-17(21)15-9-13-20(14-10-15)24(22,23)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,18,21)/p+1