dimethyl-[3-[methyl-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[methyl-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]azaniumyl]propyl]azanium Openeye Name: [(3S)-1-(benzenesulfonyl)-3-piperidyl]-[3-(dimethylammonio)propyl]-methyl-ammonium CAS Name: [(3S)-1-(benzenesulfonyl)-3-piperidinyl]-[3-(dimethylammonio)propyl]-methylammonium IUPAC Name: [(3S)-1-(benzenesulfonyl)piperidin-3-yl]-[3-(dimethylazaniumyl)propyl]-methylazanium Traditional Name: [(3S)-1-besyl-3-piperidyl]-[3-(dimethylammonio)propyl]-methyl-ammonium Formula: C17H31N3O2S+2 MolecularWeight: 341.51194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](C)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCC[NH+](C)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H29N3O2S/c1-18(2)12-8-13-19(3)16-9-7-14-20(15-16)23(21,22)17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3/p+2/t16-/m0/s1