[4-[[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28FN3O3S/c1-25(2)16-18-8-6-17(7-9-18)15-24-22(27)19-10-11-20(23)21(14-19)30(28,29)26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,24,27)/p+1