N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide bromide

Systemtic Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide bromide Openeye Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide CAS Name: N-[4-[2-(1-heptyl-4-pyridin-1-iumyl)ethylsulfonyl]phenyl]acetamide bromide IUPAC Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Traditional Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Formula: C22H31BrN2O3S MolecularWeight: 483.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C.[Br-]

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C.[Br-]

InChI

InChI=1S/C22H30N2O3S.BrH/c1-3-4-5-6-7-15-24-16-12-20(13-17-24)14-18-28(26,27)22-10-8-21(9-11-22)23-19(2)25;/h8-13,16-17H,3-7,14-15,18H2,1-2H3;1H