3-quinolin-1-ium-1-ylbutan-2-yl hydrogen sulfate

Systemtic Name: 3-quinolin-1-ium-1-ylbutan-2-yl hydrogen sulfate Openeye Name: (1-methyl-2-quinolin-1-ium-1-yl-propyl) hydrogen sulfate CAS Name: sulfuric acid 3-(1-quinolin-1-iumyl)butan-2-yl ester IUPAC Name: 3-quinolin-1-ium-1-ylbutan-2-yl hydrogen sulfate Traditional Name: sulfuric acid (1-methyl-2-quinolin-1-ium-1-yl-propyl) ester Formula: C13H16NO4S+ MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OS(=O)(=O)O)[N+]1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C(C)OS(=O)(=O)O)[N+]1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H15NO4S/c1-10(11(2)18-19(15,16)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3/p+1