N-[4-[2-(3-heptylimidazol-1-ium-1-yl)ethanoyl]phenyl]methanesulfonamide bromide

Systemtic Name: N-[4-[2-(3-heptylimidazol-1-ium-1-yl)ethanoyl]phenyl]methanesulfonamide bromide Openeye Name: N-[4-[2-(3-heptylimidazol-1-ium-1-yl)acetyl]phenyl]methanesulfonamide bromide CAS Name: N-[4-[2-(3-heptyl-1-imidazol-1-iumyl)-1-oxoethyl]phenyl]methanesulfonamide bromide IUPAC Name: N-[4-[2-(3-heptylimidazol-1-ium-1-yl)acetyl]phenyl]methanesulfonamide bromide Traditional Name: N-[4-[2-(3-heptylimidazol-1-ium-1-yl)acetyl]phenyl]methanesulfonamide bromide Formula: C19H28BrN3O3S MolecularWeight: 458.41292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

InChI

InChI=1S/C19H27N3O3S.BrH/c1-3-4-5-6-7-12-21-13-14-22(16-21)15-19(23)17-8-10-18(11-9-17)20-26(2,24)25;/h8-11,13-14,16H,3-7,12,15H2,1-2H3;1H