4-chloranyl-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium

Systemtic Name: 4-chloranyl-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium Openeye Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium CAS Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium IUPAC Name: 4-chloro-1-methyl-3-(methylsulfonylmethyl)quinolin-1-ium Traditional Name: 4-chloro-3-(mesylmethyl)-1-methyl-quinolin-1-ium Formula: C12H13ClNO2S+ MolecularWeight: 270.75512

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C2=CC=CC=C21)Cl)CS(=O)(=O)C

Isomeric SMILES

C[N+]1=CC(=C(C2=CC=CC=C21)Cl)CS(=O)(=O)C

InChI

InChI=1S/C12H13ClNO2S/c1-14-7-9(8-17(2,15)16)12(13)10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3/q+1