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

Systemtic Name: N-[4-[2-(1-dodecylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide bromide Openeye Name: N-[4-[2-(1-dodecylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide CAS Name: N-[4-[2-(1-dodecyl-4-pyridin-1-iumyl)ethylsulfonyl]phenyl]acetamide bromide IUPAC Name: N-[4-[2-(1-dodecylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Traditional Name: N-[4-[2-(1-laurylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Formula: C27H41BrN2O3S MolecularWeight: 553.59504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-20-29-21-17-25(18-22-29)19-23-33(31,32)27-15-13-26(14-16-27)28-24(2)30;/h13-18,21-22H,3-12,19-20,23H2,1-2H3;1H