3-(dimethylazaniumyl)propyl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-methyl-azanium Openeye Name: 3-(dimethylammonio)propyl-[(3S)-1-(3-fluorophenyl)sulfonyl-3-piperidyl]-methyl-ammonium CAS Name: 3-(dimethylammonio)propyl-[(3S)-1-(3-fluorophenyl)sulfonyl-3-piperidinyl]-methylammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-methylazanium Traditional Name: 3-(dimethylammonio)propyl-[(3S)-1-(3-fluorophenyl)sulfonyl-3-piperidyl]-methyl-ammonium Formula: C17H30FN3O2S+2 MolecularWeight: 359.502403

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H28FN3O2S/c1-19(2)10-6-11-20(3)16-8-5-12-21(14-16)24(22,23)17-9-4-7-15(18)13-17/h4,7,9,13,16H,5-6,8,10-12,14H2,1-3H3/p+2/t16-/m0/s1