N-[4-[3-methyl-3-(3-oxidanylidenepropyl)-2H-imidazol-3-ium-1-yl]phenyl]methanesulfonamide chloride

Systemtic Name: N-[4-[3-methyl-3-(3-oxidanylidenepropyl)-2H-imidazol-3-ium-1-yl]phenyl]methanesulfonamide chloride Openeye Name: N-[4-[3-methyl-3-(3-oxopropyl)-2H-imidazol-3-ium-1-yl]phenyl]methanesulfonamide chloride CAS Name: N-[4-[3-methyl-3-(3-oxopropyl)-2H-imidazol-3-ium-1-yl]phenyl]methanesulfonamide chloride IUPAC Name: N-[4-[3-methyl-3-(3-oxopropyl)-2H-imidazol-3-ium-1-yl]phenyl]methanesulfonamide chloride Traditional Name: N-[4-[3-(3-ketopropyl)-3-methyl-4-imidazolin-3-ium-1-yl]phenyl]methanesulfonamide chloride Formula: C14H20ClN3O3S MolecularWeight: 345.8449

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CN(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C)CCC=O.[Cl-]

Isomeric SMILES

C[N+]1(CN(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C)CCC=O.[Cl-]

InChI

InChI=1S/C14H20N3O3S.ClH/c1-17(9-3-11-18)10-8-16(12-17)14-6-4-13(5-7-14)15-21(2,19)20;/h4-8,10-11,15H,3,9,12H2,1-2H3;1H/q+1;/p-1