(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-methyl-ammonium Formula: C18H22ClFN3O3S+ MolecularWeight: 414.901983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21ClFN3O3S/c1-21(12-15-16(19)5-4-6-17(15)20)13-22-11-14(7-8-18(22)24)27(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12-13H2,1H3/p+1