N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzyl]benzamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-16-22-10-11-24(16)14-19-5-3-4-18(12-19)13-23-21(25)20-8-6-17(7-9-20)15-28(2,26)27/h3-12H,13-15H2,1-2H3,(H,23,25)/p+1