1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium bromide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium bromide Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium bromide CAS Name: 1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium bromide IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium bromide Traditional Name: 1-(4-chlorobenzyl)-4-(mesylmethyl)pyridin-1-ium bromide Formula: C14H15BrClNO2S MolecularWeight: 376.6964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=[N+](C=C1)CC2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

CS(=O)(=O)CC1=CC=[N+](C=C1)CC2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C14H15ClNO2S.BrH/c1-19(17,18)11-13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12;/h2-9H,10-11H2,1H3;1H/q+1;/p-1