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

Systemtic Name: N-[4-[2-(1-propan-2-ylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide bromide Openeye Name: N-[4-[2-(1-isopropylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide CAS Name: N-[4-[2-(1-propan-2-yl-4-pyridin-1-iumyl)ethylsulfonyl]phenyl]acetamide bromide IUPAC Name: N-[4-[2-(1-propan-2-ylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Traditional Name: N-[4-[2-(1-isopropylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide bromide Formula: C18H23BrN2O3S MolecularWeight: 427.35582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S.BrH/c1-14(2)20-11-8-16(9-12-20)10-13-24(22,23)18-6-4-17(5-7-18)19-15(3)21;/h4-9,11-12,14H,10,13H2,1-3H3;1H